X1,ID1,Compound Name
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,DB03247,Flavin mononucleotide
O=C(O)Cc1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1,DB07837,"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid"
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1,DB08191,"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid"
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,DB02594,2'-Deoxycytidine
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,DB02452,Thymidine 5'-triphosphate
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br,DB03312,Brivudine
[N-]=[N+]=NC[C@H](O)c1ccc([N+](=O)[O-])cc1,DB04472,(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol
O=S(=O)(O)CCNC1CCCCC1,DB03309,N-cyclohexyltaurine
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB02789,Pregnenolone
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,DB01812,"Adenosine 3',5'-diphosphate"
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,DB01183,Naloxone
CCCCCCCCCCC[C@@H](O)CC(=O)O,DB02767,(R)-3-hydroxytetradecanoic acid
N[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O,DB05475,Golotimod
CCCCCCCCCCCCCC(=O)O,DB08231,Myristic acid
CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,DB00924,Cyclobenzaprine
CCCCCCCCCCCC(=O)O,DB03017,Lauric acid
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,DB12010,Fostamatinib
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,DB01104,Sertraline
CNCCC=C1c2ccccc2CCc2ccccc21,DB00540,Nortriptyline
COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,DB00514,Dextromethorphan
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,DB04216,Quercetin
Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,DB05552,TG100-115
CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F,DB14989,Umbralisib
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,DB09054,Idelalisib
C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,DB11952,Duvelisib
COc1ccccc1-n1c(CSc2ncnc3[nH]cnc23)nc2cccc(Cl)c2c1=O,DB06831,2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE
Cn1c(=O)c2c(ncn2C)n(C)c1=O,DB00201,Caffeine
CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21,DB07954,3-isobutyl-1-methyl-7H-xanthine
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc21,DB08811,Tofisopam
Nc1nc2c(ncn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1,DB02315,Cyclic GMP
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1,DB06246,Exisulind
NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,DB00157,NADH
CCCCCCCCCCCCO,DB06894,1-Dodecanol
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,DB00599,Thiopental
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@@](=O)(F)OC,DB02465,Methoxy arachidonyl fluorophosphonate
O=C(O)N1CCC(Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1,DB08400,4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,DB14011,Nabiximols
O=C(O)N1CCC(Cc2cnc3ccccc3c2)CC1,DB08385,4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1,DB04770,"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL"
CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1,DB04776,(2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O,DB03909,"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate"
CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,DB00561,Doxapram
N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,DB00738,Pentamidine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,DB01752,S-adenosyl-L-homocysteine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,DB00171,ATP
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,DB00495,Zidovudine
NC[C@H](O)CNc1ccc([N+](=O)[O-])c2cccnc12,DB07037,(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL
OCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1,DB07213,"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL"
OCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12,DB08393,"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL"
CN1CCN(c2ccc(-c3cnc4[nH]cc(NC(=O)c5cccnc5)c4c3)cc2)CC1,DB06876,"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE"
CSc1nc(O)c(Cc2cccs2)[nH]1,DB08779,2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ncccc13)C2,DB07243,"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE"
OC[C@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12,DB07648,"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL"
O=C(O)CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12,DB07653,"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE"
NCC1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1,DB07025,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE
O=c1[nH]cnc2sc3c(c12)CCCC3,DB08777,"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE"
COc1ccc(Cl)cc1NC(=O)Nc1cncc(O[C@@H](C)CN(C)C)n1,DB07228,1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
COc1cc(OC)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl,DB07314,"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA"
NC[C@H]1CN(c2c(-c3ccccc3)cnc3[nH]ncc23)CCO1,DB08774,"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine"
O=C(O)c1ccccc1NC1CCCCC1,DB07038,2-(cyclohexylamino)benzoic acid
CC(=O)Nc1nc2c(s1)C(=O)NCCC2,DB08776,"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE"
c1nc(N2CCOCC2)c2nc[nH]c2n1,DB08780,6-MORPHOLIN-4-YL-9H-PURINE
COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)ccc1O,DB07078,"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE"
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1,DB08683,"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE"
O=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2,DB07034,"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID"
C[C@H]1CC[C@@H](NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1,DB07320,"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID"
c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1,DB07959,3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,DB06486,Enzastaurin
COc1ccc(-c2oc3ncnc(NCCO)c3c2-c2ccc(OC)cc2)cc1,DB08392,"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL"
OCCNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12,DB07655,"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE"
Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1,DB12611,PF-477736
N#Cc1ccc2c(-c3cc4cc(CN5CCC(CN)CC5)ccc4[nH]3)n[nH]c2c1,DB07075,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE
CN(CCO)c1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12,DB07654,"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC"
COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O,DB07336,4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL
NC[C@H]1CN(c2c(Br)cnc3[nH]ncc23)CCO1,DB08781,"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE"
O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1,DB06852,CHIR-124
C[C@@H](O)CNc1ncnc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12,DB07647,"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL"
CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1,DB08778,"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone"
O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1,DB12284,LY-2608204
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,DB12008,Prexasertib
CCn1c(=O)c2c(C)n[nH]c2c2ccccc21,DB07158,"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE"
O=C1Nc2cncc(n2)OCCCCCOc2ccc(Cl)cc2N1,DB07311,"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE"
CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,DB01567,Fludiazepam
Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,DB00480,Lenalidomide
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2,DB11582,Thiocolchicoside
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,DB00159,Icosapent
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]1O,DB02930,Adenosine 5'-[gamma-thio]triphosphate
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,DB00143,Glutathione
Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O,DB06521,Ertiprotafib
CC(=O)Oc1ccccc1C(=O)O,DB00945,Acetylsalicylic acid
CCP(CC)(CC)=[Au]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,DB00995,Auranofin
C[N+](C)(C)CCO.O=C([O-])c1ccccc1O,DB14006,Choline salicylate
c1ccc2[nH]c(-c3cc[nH]n3)nc2c1,DB08065,2-(1H-pyrazol-3-yl)-1H-benzimidazole
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1,DB08066,N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,DB05220,Alisertib
O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,DB13061,MLN8054
Cn1ncc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(C(F)(F)F)c4)s3)c21,DB07362,"1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea"
O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,DB07545,N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,DB06134,SNS-314
O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1,DB12556,MK-5108
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4cn(C(=O)Cc5cccs5)cc34)cc2)CC1,DB07186,"4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE"
Cc1cc(Nc2ncc(F)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc1N1CCN(C)CC1,DB06347,Cenisertib
CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c-4n[nH]c1C,DB07266,AKI-001
OC(=NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1,DB05169,AT9283
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,DB07360,"1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea"
CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2ncnc3[nH]cnc23)c1,DB07801,N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide
O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,DB11942,Selinexor
CC(=O)C1=C(O)N2[C@H](C1=O)[C@H]1c3c[nH]c4cccc(c34)C[C@H]1C2(C)C,DB07604,"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE"
CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O,DB04638,"2,5-di-tert-butylhydroquinone"
Cc1[nH]c2ccccc2c1CCNC(=O)c1cccs1,DB08235,N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O,DB08236,"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one"
Cc1ncc(COP(=O)(O)O)c(C=O)c1O,DB00114,Pyridoxal phosphate
O=C(CCCCCCC(=O)Nc1ccccc1)NO,DB02546,Vorinostat
CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,DB05223,Pracinostat
Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1,DB11830,Mocetinostat
Cc1ncc(COP(=O)(O)O)c(CN)c1O,DB02142,Pyridoxamine-5'-Phosphate
CC[C@H](C)[C@@H](NCc1c(COP(=O)(O)O)cnc(C)c1O)C(=O)O,DB02635,N-[O-Phosphono-Pyridoxyl]-Isoleucine
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,DB04115,Berberine
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,DB00206,Reserpine
CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1,DB16737,MM3122
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,DB09019,Bromhexine
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,DB13729,Camostat
CCOC(=O)C1(c2ccccc2)CCN(C)CC1,DB00454,Meperidine
Cc1ccccc1C(OCCN(C)C)c1ccccc1,DB01173,Orphenadrine
c1csc(C2(N3CCCCC3)CCCCC2)c1,DB01520,Tenocyclidine
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,DB11672,Curcumin
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OS(=O)(=O)O)c(OC)c2)ccc1O,DB14635,Curcumin sulfate
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1,DB05737,Varespladib methyl
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB01436,Alfacalcidol
Cn1cc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21,DB01946,Bisindolylmaleimide VIII
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,DB01863,"Inositol 1,3,4,5-Tetrakisphosphate"
CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,DB03777,Bisindolylmaleimide I
C[C@H](C1=c2cc(NC(N)=O)ccc2=NC1=O)c1ccc[nH]1,DB07132,1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA
COCCOc1cc2ncc3c(N)nc(-n4ccnc4)cc3c2cc1OC,DB07300,"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine"
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,DB02010,Staurosporine
C[C@H](C1=c2cc(O)ccc2=NC1=O)c1ccc[nH]1,DB07033,5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE
NCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,DB07457,"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE"
CN1CCC[C@@H]1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,DB07456,"3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione"
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@@H]4O,DB01933,7-Hydroxystaurosporine
COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,DB06932,"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine"
Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,DB00482,Celecoxib
C[C@]1(C(=O)N(CCCC(=O)O)Cc2cccc(Cl)c2)CCN1C(=O)c1csc2ccccc12,DB15406,GLPG-0974
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,DB00257,Clotrimazole
C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,DB00468,Quinine
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1,DB13083,Talarozole
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,DB00199,Erythromycin
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC,DB06587,Mitemcinal
CC[C@H](CO)Nc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1,DB07125,"4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid"
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,DB04716,"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one"
CN1CCC2(CC1)NC(=O)c1c(c3ccc(Cl)c(Cl)c3n1C)[C@H]2C#N,DB07242,"(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile"
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,DB04953,Ezogabine
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,DB00939,Meclofenamic acid
CN(C)CCC=C1c2ccccc2CCc2ccccc21,DB00321,Amitriptyline
NS(=O)(=O)Cc1noc2ccccc12,DB00909,Zonisamide
NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,DB00562,Benzthiazide
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,DB00774,Hydroflumethiazide
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,DB08846,Ellagic acid
CC(=O)Nc1nnc(S(N)(=O)=O)s1,DB00819,Acetazolamide
Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,DB11951,Lemborexant
COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1,DB15031,Daridorexant
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,DB09034,Suvorexant
O=P(O)(O)O[C@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O,DB03344,"Inositol-(1,3,4,5,6)-Pentakisphosphate"
COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,DB02383,Tolrestat
O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12,DB08772,Zopolrestat
NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1,DB02021,Fidarestat
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB03461,Nicotinamide adenine dinucleotide phosphate
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1,DB00605,Sulindac
Nc1nnc(CN[C@@H]2C[C@H]2c2ccc(OCc3ccccc3)cc2)o1,DB16446,Vafidemstat
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,DB00132,alpha-Linolenic acid
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,DB00412,Rosiglitazone
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,DB00197,Troglitazone
CN(N=O)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,DB00428,Streptozocin
C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)nc(N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,DB02547,Guanosine-5'-Diphosphate-Rhamnose
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB04315,Guanosine-5'-Diphosphate
Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC2CCCCC2)CCCC1,DB07061,"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL"
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB02180,Myristoyl-Coa
CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB02271,S-(2-oxo)pentadecylcoa
O=C1/C(=C/c2cccc([N+](=O)[O-])c2O)SC(=S)N1Cc1ccccc1,DB07838,(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,DB00210,Adapalene
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,DB04824,Phenolphthalein
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1,DB04552,Niflumic acid
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,DB15035,Zanubrutinib
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1,DB07162,4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1,DB14973,Abrocitinib
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,DB08895,Tofacitinib
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,DB12500,Fedratinib
Nc1n[nH]c2ccc(-c3ccccc3)cc12,DB07161,5-phenyl-1H-indazol-3-amine
C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1,DB11697,Pacritinib
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,DB11817,Baricitinib
N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,DB08877,Ruxolitinib
CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1,DB15822,Pralsetinib
O=C(Nc1c[nH]nc1-c1nc2ccc(C[NH+]3CCOCC3)cc2[nH]1)NC1CC1,DB08067,4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,DB11986,Entrectinib
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,DB01103,Quinacrine
c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1,DB07614,"PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE"
c1ccc(-c2cc(-c3cc[nH]n3)on2)cc1,DB07613,3-phenyl-5-(1H-pyrazol-3-yl)isoxazole
O=C(O)c1cnn(-c2ccccc2)c1,DB08790,1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
c1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1,DB07917,4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE
O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1,DB08695,3-(4-nitrophenyl)-1H-pyrazole
Cc1cc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)ccc1F,DB07616,"4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid"
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,DB07615,Tranilast
O=c1[nH][nH]c(=O)c2cc(-[n+]3nc(/C=C/c4ccccc4)nn3-c3nc4ccccc4s3)ccc12,DB01897,2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride
COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1,DB08313,Nocodazole
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,DB00786,Marimastat
COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1,DB08271,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID
N[C@H](C=CS(=O)(=O)c1ccccc1)CCc1ccccc1,DB02869,3-amino-5-phenylpentane
N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,DB00138,Cystine
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,DB08162,Fasudil
C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1,DB08756,Y-27632
Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,DB13931,Netarsudil
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1,DB16703,Belumosudil
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12,DB13165,Ripasudil
C=C(C)[C@@H]1C2OC(=O)C1[C@]1(O)CC3O[C@]34C(=O)O[C@H]2[C@]14C.CC(C)(O)[C@@H]1C2OC(=O)C1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C,DB00466,Picrotoxin
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,DB09061,Cannabidiol
CC(=O)N[C@@H]1C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O)O[C@@H]1C(=O)O,DB08818,Hyaluronic acid
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2],DB11093,Calcium citrate
O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2],DB11348,Calcium Phosphate
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F,DB01969,Trifluoroacetonyl coenzyme A
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCC[C@@H](F)C(=O)O,DB03182,alpha-Fluoro-carboxymethyldethia coenzyme A complex
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCC[N+](=O)[O-],DB04230,Nitromethyldethia coenzyme A
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,DB01992,Coenzyme A
O=C(O)CC(O)(CC(=O)O)C(=O)O,DB04272,Citric acid
c1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc3[nH]cnc3c2)n1,DB07382,"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine"
O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1,DB12582,Piperine
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,DB00783,Estradiol
O=C1C(CCS(=O)c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,DB01138,Sulfinpyrazone
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,DB01039,Fenofibrate
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,DB00682,Warfarin
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB14649,Dexamethasone acetate
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,DB01393,Bezafibrate
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,DB01045,Rifampicin
CCN1C(=O)NC(c2ccccc2)C1=O,DB00754,Ethotoin
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB14002,D-alpha-Tocopherol acetate
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,DB01220,Rifaximin
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,DB02709,Resveratrol
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,DB04468,Afimoxifene
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB14001,alpha-Tocopherol succinate
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](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O,DB01229,Paclitaxel
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,DB00834,Mifepristone
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,DB13954,Estradiol cypionate
O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,DB01068,Clonazepam
CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB00499,Flutamide
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,DB05928,Dovitinib
CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,DB01026,Ketoconazole
O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,DB07080,TO-901317
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DB01174,Phenobarbital
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,DB01645,Genistein
Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,DB08864,Rilpivirine
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,DB00675,Tamoxifen
NC(=O)N1c2ccccc2C=Cc2ccccc21,DB00564,Carbamazepine
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,DB13956,Estradiol valerate
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,DB00252,Phenytoin
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB01234,Dexamethasone
CCCCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCCCC)CC[C@@H]12,DB13955,Estradiol dienanthate
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,DB00163,Vitamin E
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,DB00849,Methylphenobarbital
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,DB04930,Permethrin
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,DB00312,Pentobarbital
CCC1(c2ccccc2)NC(=O)N(C)C1=O,DB00532,Mephenytoin
CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O,DB01892,Hyperforin
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,DB00255,Diethylstilbestrol
CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB13952,Estradiol acetate
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],DB01115,Nifedipine
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,DB01110,Miconazole
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,DB13953,Estradiol benzoate
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,DB01248,Docetaxel
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,DB00977,Ethinylestradiol
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,DB13179,Troleandomycin
CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,DB13873,Fenofibric acid
CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1,DB07931,Hexestrol
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,DB01127,Econazole
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,DB00530,Erlotinib
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB06777,Chenodeoxycholic acid
O=P1(N(CCCl)CCCl)NCCCO1,DB00531,Cyclophosphamide
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB01708,Prasterone
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,DB00503,Ritonavir
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,DB08604,Triclosan
CCOP(=O)(OCC)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC,DB04466,SR12813
O=P1(NCCCl)OCCCN1CCCl,DB01181,Ifosfamide
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,DB00239,Oxiconazole
C/C(=C\C=C\[C@@H](C)c1ccccn1)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)/C=C/[C@@H]1C,DB14017,H3B-8800
CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,DB11755,Tetrahydrocannabivarin
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O,DB14050,Cannabidivarin
CCCCOC(=O)c1ccc(N)cc1,DB11148,Butamben
O=C(O)C[C@H](C(=O)O)[C@H](O)C(=O)O,DB01727,Isocitric Acid
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O,DB16267,Olutasidenib
N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1,DB14568,Ivosidenib
C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1,DB00867,Ritodrine
CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C,DB08892,Arbaclofen Placarbil
NC[C@H](CC(=O)O)c1ccc(Cl)cc1,DB08891,Arbaclofen
NCC(CC(=O)O)c1ccc(Cl)cc1,DB00181,Baclofen
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O,DB01094,Hesperetin
NC(N)=NCCS[C@@H](CC(=O)O)C(=O)O,DB04489,Guanidinoethylmercaptosuccinic acid
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB01972,Guanosine-5'-Monophosphate
Cn1c(=O)c2[nH]cnc2n(C)c1=O,DB00277,Theophylline
N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1I)C(=O)NCC(=O)O)C(=O)O,DB03597,gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(N)(=O)=O)sc3OCC)nc12,DB08729,"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide"
CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O,DB00820,Tadalafil
CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12,DB00862,Vardenafil
CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc(=O)c2c([nH]1)c(CCC)nn2C,DB06267,Udenafil
COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,DB06237,Avanafil
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,DB00203,Sildenafil
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,DB00975,Dipyridamole
COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC,DB00213,Pantoprazole
COc1ccc2[nH]c([S@@](=O)Cc3ncc(C)c(OC)c3C)nc2c1,DB00736,Esomeprazole
Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1,DB05351,Dexlansoprazole
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,DB00162,Vitamin A
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,DB01241,Gemfibrozil
CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,DB05521,Telaprevir
CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,DB00204,Dofetilide
CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,DB04855,Dronedarone
COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,DB00637,Astemizole
CN(C)CCCN1c2ccccc2CCc2ccccc21,DB00458,Imipramine
NCCc1c[nH]c2ccc(O)cc12,DB08839,Serotonin
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,DB01016,Glyburide
C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)O,DB06843,"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE"
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1,DB02587,Colforsin
OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,DB09121,Aurothioglucose
C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1,DB01106,Levocabastine
O=c1cc(-c2ccccc2)oc2ccccc12,DB07776,Flavone
O=P(O)(O)C(O)(Cc1cccc(-c2cccc3c2oc2ccccc23)c1)P(=O)(O)O,DB07410,[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,DB07780,Farnesyl diphosphate
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O,DB06548,Minodronic acid
CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,DB06830,"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)"
CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,DB06931,"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)"
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,DB00710,Ibandronate
NCCC(O)(P(=O)(O)O)P(=O)(O)O,DB00282,Pamidronic acid
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,DB07841,Geranylgeranyl diphosphate
CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O,DB02552,Geranyl Diphosphate
C=C(C)CCO[P@@](=O)(O)OP(=O)(O)O,DB04714,ISOPENTENYL PYROPHOSPHATE
CC(C)=CCC/C(C)=C/CC/C(C)=C/CSP(=O)(O)OP(=O)(O)O,DB04695,Farnesyl thiopyrophosphate
CCCCC/C=C/CC(C/C=C/CCCCC)(P(=O)(O)O)P(=O)(O)O,DB08529,"(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)"
CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,DB07873,Lauryl alcohol diphosphonic acid
CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O,DB07221,"(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM"
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,DB00399,Zoledronic acid
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C,DB03147,Flavin adenine dinucleotide
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,DB08868,Fingolimod
C=Cc1c(C)c2n3c1C=c1c(C)c(CCC(=O)OC)c4n1[Fe@@]31n3c(c(C)c(CCC(=O)OC)c3C=4)C=c3c(C)c(C=C)c(n31)=C2,DB04009,Dimethyl Propionate Ester Heme
O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cr+3],DB14527,Chromic nitrate
O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Cr+3],DB14529,Chromium nicotinate
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Cr+3],DB14526,Chromic citrate
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cr+3],DB14528,Chromium gluconate
NC(=O)c1cccc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)n1,DB04071,Cpad
NC(=O)c1c[nH+]cc([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB03020,5-beta-D-ribofuranosylnicotinamide adenine dinucleotide
OCc1c(F)c(F)c(F)c(F)c1F,DB01711,"2,3,4,5,6-Pentafluorobenzyl Alcohol"
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB02659,Cholic Acid
CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2,DB09118,Stiripentol
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c4ncn4ccnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB02483,Etheno-NAD
C[C@@H](O)[C@@H](O)c1cnc2nc(N)[nH]c(=O)c2n1,DB03886,Biopterin
COc1ccc(OC)c(/C=C\c2cnc3nc(N)nc(N)c3c2C)c1,DB03060,Sri-9662
COc1ccc(OC)c(CN(C)c2ccc3nc(N)nc(N)c3c2)c1,DB02427,"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline"
COc1cc(N(C)C[C@H]2CCC3=C(C2)C(N)=N[C@H](N)N3)cc(OC)c1OC,DB08642,"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine"
CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC,DB08234,"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine"
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC,DB03125,"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium"
Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12,DB03351,Sri-9439
COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1,DB03987,"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine"
COc1cc(-c2ccccc2)cc([C@@H](C)C#Cc2c(C)nc(N)nc2N)c1,DB07140,"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"
COc1cc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC,DB02104,"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine"
COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2,DB06358,Iclaprim
COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c3c2)c1,DB02583,"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine"
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,DB00205,Pyrimethamine
CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,DB01131,Proguanil
N[C@H]1N[C@@H](N)[C@@H]2C[C@@H](CN3CC[C@H]4CCCC[C@@H]43)CC[C@@H]2N1,DB02559,"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine"
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc43)cnc2n1,DB08406,"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE"
COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC,DB02919,"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine"
COc1cc(-c2c(C)cccc2C)cc([C@@H](C)C#Cc2c(C)nc(N)nc2N)c1,DB07144,"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,DB01157,Trimetrexate
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1,DB03695,Piritrexim
COc1cc(-c2ccc(C)cc2)cc([C@@H](C)C#Cc2c(C)nc(N)nc2N)c1,DB07141,"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"
COc1cc(-c2cc(C)cc(C)c2)cc([C@@H](C)C#Cc2c(C)nc(N)nc2N)c1,DB07142,"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine"
Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1,DB00642,Pemetrexed
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DB00563,Methotrexate
C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DB06813,Pralatrexate
Nc1nc(N)c2nc(CN3c4ccc(O)cc4C=CC4=CCC=C[C@@H]43)cnc2n1,DB08448,"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol"
NCCCCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@@H](N)C(=O)O,DB02553,Glutathionylspermidine disulfide
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O,DB03867,3-nitro-L-tyrosine
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,DB03310,Glutathione disulfide
c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1,DB07393,"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE"
CC1=C(CCCCCC(=O)O)C(=O)c2ccccc2C1=O,DB07714,"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID"
O=C(O)CCC1c2ccc(O)cc2Oc2cc(O)ccc21,DB01644,"3,6-dihydroxy-xanthene-9-propionic acid"
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl,DB05412,Talmapimod
C[C@H](O)[C@H](O)C1=Nc2c([nH]c(N)nc2=O)NC1,DB04400,"L-erythro-7,8-dihydrobiopterin"
N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1,DB06262,Droxidopa
C[C@H](O)[C@H](O)[C@H]1CN=c2[nH]c(N)nc(=O)c2=N1,DB02562,"Quinonoid 7,8-Tetrahydrobiopterin"
C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1,DB00360,Sapropterin
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1F,DB01629,5-fluorouridine
[O-][n+]1cccc(C(Cl)=NOC[C@H](O)CN2CCCCC2)c1,DB05025,Arimoclomol
CC(C)NCC(O)c1ccc(O)c(O)c1,DB01064,Isoprenaline
N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O,DB02011,N-(Phosphonoacetyl)-L-Ornithine
O=c1nc[nH]c2c1ncn2[C@H]1CC[C@@H](CO)O1,DB00900,Didanosine
O=c1nc[nH]c2c([C@@H]3O[C@H](CO)[C@H]4O[C@@H](CP(=O)(O)O)O[C@H]43)c[nH]c12,DB04753,"9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE"
Nc1nc2ncn(CCNC(CO)CO)c2c(=O)[nH]1,DB02391,"2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One"
Nc1nc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1,DB02230,Immucillin-G
CSC[C@H]1[NH2+][C@@H](c2c[nH]c3c(=O)nc[nH]c23)[C@H](O)[C@@H]1O,DB03881,"(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium"
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@H]4O[C@H](P(=O)(O)O)O[C@H]43)c2[nH]1,DB04757,"GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE"
O=c1nc[nH]c2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,DB02796,9-deazainosine
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@H]4O[C@@H](CP(=O)(O)O)O[C@H]43)c2[nH]1,DB04754,"GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE"
Nc1nc(=O)c2[nH]cc(Cc3cccnc3)c2[nH]1,DB02568,Peldesine
O=C1NC=NC2C(C[NH+]3C[C@H](CO)[C@@H](O)C3)=CNC12,DB03551,"(3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium"
Nc1nc2c(ncn2CCCCC(F)(F)P(=O)(O)O)c(=O)[nH]1,DB04260,"9-(5,5-Difluoro-5-Phosphonopentyl)Guanine"
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB02857,Guanosine
C[C@@H](Cn1cnc2c(N)nc(N)nc21)OCP(=O)([O-])[O-],DB02222,"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine"
O=c1nc[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB04335,Inosine
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB03101,Ribose-1-Phosphate
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,DB00242,Cladribine
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,DB06185,Forodesine
Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)C[C@H]3O)c2[nH]1,DB03609,3'-deoxyguanosine
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,DB01632,5-O-phosphono-alpha-D-ribofuranosyl diphosphate
O=c1[nH]c(=O)c2[nH]c[n+]([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,DB02309,5-monophosphate-9-beta-D-ribofuranosyl xanthine
Cc1ncc(COP(=O)(O)O)c(CNOCC(=O)O)c1O,DB02783,4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
CCn1nccc1-c1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12,DB08583,"2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide"
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,DB08901,Ponatinib
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1,DB08896,Regorafenib
CCCc1ccc(NC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1C(F)(F)F,DB07831,"2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE"
Cc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2cccnc2)n1,DB03878,N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,DB04868,Nilotinib
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1,DB12323,Radotinib
O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1cccc(C(F)(F)F)c1,DB08043,1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,DB01254,Dasatinib
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,DB12267,Brigatinib
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,DB00619,Imatinib
COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12,DB08350,"5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE"
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1,DB12597,Asciminib
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21,DB08339,PD-166326
C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Cl)c(Cl)c4F)ncnc3cc2OC)CC1,DB12114,Poziotinib
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,DB00317,Gefitinib
CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,DB08916,Afatinib
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,DB05424,Canertinib
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,DB05294,Vandetanib
CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,DB01259,Lapatinib
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,DB15327,Abivertinib
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,DB05524,Pelitinib
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,DB09330,Osimertinib
C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,DB11737,Icotinib
CCN(CC)CC(=O)Nc1c(C)cccc1C,DB00281,Lidocaine
N[C@@H](CSCCC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1)C(=O)O,DB07602,S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1,DB13164,Olmutinib
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,DB11828,Neratinib
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1,DB06021,AV-412
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,DB11963,Dacomitinib
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,DB03496,Alvocidib
C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,DB16390,Mobocertinib
C[C@@H]1COC(Nc2ccc3ncnc(Nc4ccc(OCc5nccs5)c(Cl)c4)c3c2)=N1,DB05944,Varlitinib
C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,DB07662,PD-168393
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,DB01717,Bis(Adenosine)-5'-Pentaphosphate
C/C(=C\S(=O)(=O)N[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)c1ccc(Cl)s1,DB07211,(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE
Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1,DB08061,4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE
NC(=[NH2+])c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1,DB07796,"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE"
NC(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](C(F)F)[C@H]3[C@@H]3CCCN32)cc1,DB07741,"4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE"
NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@H]1CC[C@@H](CN=C(N)N)CC1,DB04697,TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1,DB06869,1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE
NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F,DB07946,"N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide"
Nc1ccc2cc3ccc(N)cc3nc2c1,DB01123,Proflavine
CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,DB06695,Dabigatran etexilate
CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,DB04771,1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc1cccc(Cl)c1,DB08152,{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CNC2CCCCC2)cc1,DB06850,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H](O)CCl,DB06841,"[(2R)-1-[(2S)-2-[[(2S,3S)-1-Chloro-6-(diaminomethylideneamino)-2-hydroxyhexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium"
N=C(N)c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1,DB01767,Hemi-Babim
Cc1cccc(C(=O)c2ccnc(NCc3ccc(C(=N)N)cc3)c2)c1,DB07809,4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3[O-])cc2c1,DB03159,CRA_8696
CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,DB06996,D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,DB06947,1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCC2)cc1,DB07095,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)B(O)O,DB07660,AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NNCCCCN,DB07400,1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O,DB07277,2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE
NC(=[NH2+])c1ccc2nc(-c3ccccc3O)[nH]c2c1,DB02287,2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine
CC(C)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,DB04772,1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CNC2CCCCCCC2)cc1,DB06858,N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O,DB07278,GW-813893
CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,DB00278,Argatroban
CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2ccncc2)c1)C(C)C,DB07279,N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
CSc1nnc(-c2ccc(Cl)cc2)[nH]1,DB08062,"3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE"
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1,DB06942,N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
C[C@@H](NC(=O)Cc1c(Cl)cc/c(=N\CC(F)(F)c2cccc[n+]2[O-])n1O)c1cccc(Cl)c1,DB04722,"2-[3-chloro-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide"
N[C@H](CC[C@@H](N)O)Cc1ccc(O)cc1,DB07353,"4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL"
CC1=CC(=O)c2ccccc2C1=O,DB00170,Menadione
CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,DB06936,N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide
N=C(N)NCCC[C@H](N)C(=O)c1nc2ccccc2s1,DB08624,"1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine"
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1,DB12598,Nafamostat
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CNC2CCCC2)cc1,DB06845,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide
C[C@H]1CNc2c(cccc2[SH](=O)=O)C1,DB07016,"(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline"
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CCC2CCCCC2)cc1,DB07131,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCNc1ccncc1,DB08422,[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE
N[C@@H](Cc1ccc2ccccc2c1)C(=O)O,DB01766,Beta-(2-Naphthyl)-Alanine
COc1cccc(-c2ccc3c(c2)C[C@H](O)[C@H]3[C@@H](CCCCC(=N)N)C(=O)O)c1,DB06866,6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C[C@@H](O)CN32)cc1,DB08546,"4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE"
N=C(N)CCCC[C@@H](C(=O)O)[C@H]1c2cc(-c3ccc(O)cc3)ccc2C[C@@H]1O,DB06865,6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1,DB07083,beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
NC(=[NH2+])c1cc2c(I)cccc2s1,DB03136,4-Iodobenzo[B]Thiophene-2-Carboxamidine
OC1/C(=N/CC[C@H]2CCCCN2)NC[C@H](Cl)N1CCNCc1csc2ccc(Cl)cc12,DB07521,"(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol"
N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O,DB03847,gamma-carboxy-L-glutamic acid
CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1,DB12831,Gabexate
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)COC2CCCC2)cc1,DB07088,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
O=C(CNS(=O)(=O)C1CCCCC1)N[C@H](CCNc1cc[nH+]cc1)C(=O)N1CCCCC1,DB07934,[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,DB07508,4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
NC(=O)C(Cc1ccc(N=C(N)N)cc1)NC(=O)CSc1ccc(Cl)cc1,DB07105,2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide
CC(C)(C)c1ccc(S(=O)(=O)O)cc1,DB07440,4-TERT-BUTYLBENZENESULFONIC ACID
CCOC(=O)C(Cc1ccc2ccc(C(N)N)cc2c1)c1ccc(OC2CCNC2)cc1,DB07639,3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER
NCCCCNNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,DB07366,2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,DB06919,D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCCN)B(O)O,DB07659,AC-(D)PHE-PRO-BOROHOMOLYS-OH
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1F,DB07550,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE"
CN(C)c1cccc2c(S(=O)(=O)O)cccc12,DB07376,5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)
CCCCNc1cc(C)nc2nc(Nc3cc(Cl)ccc3C)nn12,DB07128,"N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE"
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1,DB07143,D-phenylalanyl-N-benzyl-L-prolinamide
N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,DB07190,3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B(O)O,DB05714,Flovagatran
N/C(=N\O)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)CC1,DB02723,"4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide"
Cc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)c1,DB07133,D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide
N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)nc2c1,DB01725,"2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide"
CCCCCCCCCCCCCC[C@H](O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)O,DB04136,Lysophosphotidylserine
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O,DB07658,AC-(D)Phe-pro-borolys-OH
Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1ncccc1F,DB07548,"2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide"
Cc1ccnc(CNC(=O)Cn2c(C)c[nH+]c(NCC(F)(F)c3cccc[nH+]3)c2=O)c1F,DB07549,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE"
CC(C)C[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,DB06911,D-leucyl-N-(3-chlorobenzyl)-L-prolinamide
N=C(N)CCCC[C@@H](C=O)[C@H]1CCC[C@@H]1O,DB06861,6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
C=CCN(C(=O)c1cc(Cl)cc(OCCCONC(=N)N)c1)C1CCCC1,DB06859,N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE
CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1,DB06929,1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
NC(=[NH2+])c1cc2cc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl,DB03865,6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc1,DB07005,D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cncn3)nc12)[C@H]1CCCCN1,DB04591,"N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE"
CC1N[C@@H](N)CCC1CNCCN1C(Cl)=CN=C(NCC(F)(F)c2ccccn2)C1O,DB07515,"1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol"
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,DB08187,N-Methylphenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(F)c1,DB07027,D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide
O=C(O)C(=O)Cc1ccc(O)cc1,DB07718,4-Hydroxyphenylpyruvic acid
Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCNc2cc[nH+]cc2)c1,DB07944,N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE
COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@@H](N)Cc2ccccc2)c(C)c1C,DB07527,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE"
O=S(=O)(O)c1ccc2ccccc2c1,DB08254,2-Naphthalenesulfonic acid
N[C@@H](Cc1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc2ccccc2c1,DB07522,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE"
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)COC2CCCCC2)cc1,DB07091,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
COC(=O)[C@@H](N)Cc1ccccc1,DB06838,methyl L-phenylalaninate
CC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,DB06878,1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide
N[C@@]1(Cc2ccccc2)CCN2CC[C@@H](C=O)N2C1=O,DB07461,"3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE"
NC(N)=NNC(=O)N(c1ccccc1)c1ccccc1,DB07120,"3-Carbamimidamido-1,1-diphenylurea"
N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCCON=C(N)N,DB07665,"N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide"
CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1,DB06868,N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
O=C(CN1[C@H](Cl)CN=C(NCCc2ccccn2)[C@@H]1O)NCc1csc2ccc(Cl)cc12,DB07165,N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N/O)cc1)C1CCCCC1,DB04898,Ximelagatran
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CNC2CCCCCC2)cc1,DB06853,N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,DB08173,5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,DB12364,Betrixaban
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,DB06228,Rivaroxaban
CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1,DB07629,"N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE"
O=S(=O)(/C=C/c1ccc(Cl)cc1)N1CCN(CC2CCN(c3ccncc3)CC2)CC1,DB08746,1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2n[nH]c(-c3ccc(Cl)s3)n2)C1=O,DB07804,"5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE"
O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,DB08174,"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE"
CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1,DB06920,Eribaxaban
O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](O)C1)Nc1ccc(-n2ccccc2=O)cc1F,DB07875,"5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide"
Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12,DB07261,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE"
O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1CC1CCN(c2ccncc2)CC1,DB08745,4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1,DB07974,1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O,DB07843,5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,DB09075,Edoxaban
CC(C)C[C@@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ncc(-c2ccncc2)cn1,DB04673,4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O,DB07847,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O,DB07844,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
CN1CCC(N2CCN(C(=O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)CC1,DB05713,LY-517717
O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2ccncc2[nH]1,DB08426,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE"
N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1,DB08495,4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,DB06635,Otamixaban
O=C(CN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](F)C1)Nc1ccc(-n2ccccc2=O)cc1F,DB08143,"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE"
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,DB06605,Apixaban
COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1,DB07973,N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
CN1CCc2nc(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1,DB07630,"N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE"
N=C(N)c1cccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)c1,DB08487,3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
O=C(Nc1ccccc1S(=O)(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,DB07800,N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1,DB08488,"4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE"
C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O,DB07848,5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide
O=C(c1cc2c(ccc[n+]2[O-])s1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1,DB07605,"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE"
O=C(CN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1)Nc1ccc(-n2ccccc2=O)cc1F,DB07872,5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
O=c1oc(Cl)c(Cl)c2ccccc12,DB04459,"3,4-Dichloroisocoumarin"
CCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO,DB06689,Ethanolamine oleate
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(Cl)c2)c1,DB06857,N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
CC(C)[C@@H]1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,DB02705,"6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine"
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)ccc2c1,DB02398,6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine
CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1,DB08072,"4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE"
COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(S(C)(=O)=O)c1,DB03046,7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide
CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OCCN)c(C)c1,DB07626,"4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide"
N=C(N)c1ccc2cccc(Nc3ncccn3)c2c1,DB04059,8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
N=C(N)c1ccc2cc([C@@H]3C[C@H]3c3ccccc3)ccc2c1,DB03476,Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine
N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1,DB07076,6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,DB02473,"6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine"
Cc1cccc(C)c1OC[C@@H](C)N,DB07129,"(2R)-1-(2,6-dimethylphenoxy)propan-2-amine"
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(=N)N)c(F)cc3[nH]2)c1O,DB06856,6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE
CC(C)COc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O,DB06855,6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine
CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1,DB07625,"4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide"
CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN)CC2)c(C(C)C)c1,DB04172,"[2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine"
NC(N)=Nc1ccc(CC(=O)c2ccccc2)cc1,DB07122,1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
CC[C@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21,DB02551,"6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine"
NC(N)=Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,DB03782,N-(1-adamantyl)-N'-(4-guanidinobenzyl)urea
N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,DB00594,Amiloride
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1,DB03082,6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
Cc1cc(C(=O)Nc2cc(Cl)cc(N3CCCCC3)c2)cc(C)c1OCCN,DB08697,"4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide"
COc1ccc(O)c(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1,DB01905,2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3[O-])nc2c1,DB02526,CRA_10655
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1,DB01977,6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine
CN(C)c1cccc2cc(S(=O)(=O)O)ccc12,DB07684,5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,DB09213,Dexibuprofen
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O,DB01088,Iloprost
N=C(N)Nc1ccc(C(=O)O)cc1,DB02459,4-guanidinobenzoic acid
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@H](c1cc(F)cc(F)c1)O2,DB07113,"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE"
Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],DB00350,Minoxidil
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,DB00722,Lisinopril
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)[C@H](c1ccccc1)CC2,DB08099,"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine"
COc1ccc(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1,DB03395,Enalkiren
CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,DB00212,Remikiren
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,DB09026,Aliskiren
CCc1nc(N)nc(N)c1-c1ccc2c3ccccc3n(CCCOC)c2c1,DB06967,"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE"
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C)S2,DB06899,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE"
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C)O2,DB07059,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE"
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2,DB07174,"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE"
CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1,DB07244,"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE"
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,DB07785,"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE"
OC[C@H]1O[C@@H]([n+]2c[nH]c3c2NC=N[C@H]3O)[C@H](O)[C@@H]1O,DB03015,"6-hydroxy-1,6-dihydro purine nucleoside"
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1,DB07783,1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE
OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O,DB04440,Nebularine
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,DB03220,FR-234938
NC(=O)c1cn([C@@H](CO)CCc2ccccc2)cn1,DB02096,FR221647
NC(N)=Nc1nc(-c2ccc(CNc3nc4ccccc4[nH]3)s2)cs1,DB02616,FR117016
Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB04218,1-Deaza-Adenosine
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,DB07711,"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol"
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1,DB02830,FR236913
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,DB03370,FR239087
NC(=O)c1cn([C@@H](CO)CCc2cccc3ccccc23)cn1,DB03572,FR230513
C[C@H](O)[C@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1,DB07786,"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE"
OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O,DB00552,Pentostatin
O=c1nc[nH]c2c1NCN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB02472,"7,8-dihydroinosine"
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,DB00310,Chlorthalidone
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB01194,Brinzolamide
CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,DB00232,Methyclothiazide
NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,DB00606,Cyclothiazide
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O,DB00880,Chlorothiazide
CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,DB01325,Quinethazone
COc1ccccc1OCC(O)COC(N)=O,DB00423,Methocarbamol
CCOC(=O)CCc1ccc(S(N)(=O)=O)cc1,DB08157,ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE
CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,DB00703,Methazolamide
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,DB01144,Diclofenamide
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,DB00381,Amlodipine
CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,DB08155,N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,DB00436,Bendroflumethiazide
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1,DB00273,Topiramate
CCOc1ccc2nc(S(N)(=O)=O)sc2c1,DB00311,Ethoxzolamide
NS(=O)(=O)c1ccc(CCC(=O)O)cc1,DB08156,3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,DB01021,Trichlormethiazide
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB00869,Dorzolamide
NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccs2)s1,DB02986,"N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide"
NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,DB08329,Sulthiame
NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1,DB08659,2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
NS(=O)(=O)c1ccc(C(=O)NCc2c(F)c(F)c(F)c(F)c2F)cc1,DB02610,"N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide"
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,DB08301,N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
NS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1,DB04394,3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide
NS(=O)(=O)c1ccc(NC(=S)OCCc2ccsc2)cc1,DB03333,(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester
NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1,DB07476,N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
Cc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1,DB07363,"THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)"
CN[C@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB02220,AL7089A
CC[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc2[nH]ccc2c1,DB03596,N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide
NS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(F)c2F)cc1,DB04549,"4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide"
NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(F)c(F)c2)cc1,DB02861,"4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide"
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12,DB08416,"(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE"
COc1ccc(N2C[C@H](O)c3cc(S(N)(=O)=O)sc3S2(=O)=O)cc1,DB01964,AL5424
NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C(Cl)Cl)NS2(=O)=O,DB08645,"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE"
C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,DB07467,(S)-Indapamide
NS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2F)cc1,DB03844,"N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide"
NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,DB01748,N-Benzyl-4-Sulfamoyl-Benzamide
N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1,DB07710,PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE
NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl,DB08046,2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide
N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1,DB04600,"4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE"
NS(=O)(=O)c1ccc(C(=O)NCc2c(F)cc(F)cc2F)cc1,DB02221,"4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide"
NCCc1ccc(S(N)(=O)=O)cc1,DB08782,4-(2-AMINOETHYL)BENZENESULFONAMIDE
CN[C@@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB03221,AL7099A
Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl,DB06891,"5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE"
NS(=O)(=O)c1ccc2c(c1)CCC2,DB08165,indane-5-sulfonamide
NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)ccc2F)cc1,DB03039,"4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide"
COc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1,DB03526,AL5927
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,DB02894,"Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester"
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,DB00695,Furosemide
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC#N)CC[C@@H]12,DB07596,"(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate"
NCCOCCOCCNC(=O)c1ccc(S(N)(=O)=O)cc1,DB02535,Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CCN[C@H]1CN(CCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB03877,AL-4623
COc1cccc(N2CCc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1,DB02602,AL7182
C[C@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Cn1ccc2ccccc21,DB02479,(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
NS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2)cc1,DB02429,4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide
CN(C)c1cccc2c(S(N)(=O)=O)cccc12,DB02866,Dansylamide
Cn1sc(=O)c2cc(S(N)(=O)=O)ccc21,DB03294,"1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide"
COc1cccc(N2C(CN3CCOCC3)=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1,DB03598,"Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]"
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(Cc1cccnc1)C2=O,DB08418,"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate"
COc1cccc(N2C=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1,DB04371,AL6528
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1,DB07050,"5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide"
NS(=O)(=O)c1ccc2[nH]c(-c3cscn3)nc2c1,DB08083,"2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide"
NS(=O)(=O)c1nc2ccc(O)cc2s1,DB08765,"6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE"
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(Cc1cccs1)C[C@@H]2O,DB04089,AL5300
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,DB00391,Sulpiride
NCCCCNC(=O)c1ccc(S(N)(=O)=O)cc1,DB03697,4-Sulfonamide-[1-(4-Aminobutane)]Benzamide
NS(=O)(=O)c1nnc(-c2ccccc2Cl)s1,DB07632,"5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide"
NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1,DB02069,N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,DB04081,"(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide"
C[C@@H](CNC(=O)c1ccc(S(N)(=O)=O)cc1)Cn1ccc2ccccc21,DB03950,(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,DB00580,Valdecoxib
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,DB02292,Irosustat
NS(=O)(=O)c1ccc(C(=O)NCCCCNCS)cc1,DB04002,4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide
Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1,DB04763,"1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM"
NS(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2F)cc1,DB07742,"N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE"
NS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)cc2F)cc1,DB04180,"4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide"
CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1,DB07048,"N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide"
CN1CCN(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1,DB08202,4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)N(c1cccc(O)c1)C(CN1CCOCC1)=C2,DB03262,"Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]"
NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,DB06954,"2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate"
N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1,DB04601,"4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE"
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,DB08804,Nandrolone decanoate
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,DB03756,Doconexent
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,DB15588,Ursolic acid
CC(=O)N(C)CCN(C)c1ccc([N+](=O)[O-])c2nonc12,DB08751,"N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE"
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB04137,Guanosine-5'-Triphosphate
C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,DB15569,Sotorasib
CC(C)=CCC/C(C)=C/CC/C(C)=C/CONC(=O)CP(=O)(O)O,DB07771,"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID"
C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N,DB15568,Adagrasib
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@@H](C)[C@@H]1O,DB12843,Oleandrin
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1,DB11973,Tesevatinib
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,DB01162,Terazosin
NCCC(=O)N1[Zn]OC(=O)[C@@H]1Cc1cnc[nH]1,DB09221,Polaprezinc
CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,DB01407,Clenbuterol
Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1,DB01289,Glisoxepide
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,DB00608,Chloroquine
CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3,DB11752,Bryostatin 1
NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,DB05470,VX-702
Nc1cc(-c2ccncc2)c[nH]c1=O,DB01427,Amrinone
C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,DB05767,Andrographolide
CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1,DB05513,Atiprimod
CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-],DB05968,PR-104
CNC[C@H](O)c1ccc(O)c(O)c1,DB00668,Epinephrine
Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,DB08910,Pomalidomide
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,DB13751,Glycyrrhizic acid
Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F,DB12140,Dilmapimod
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21,DB06444,Dexanabinol
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,DB05992,Plinabulin
CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,DB04297,Trichostatin A
O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1,DB01411,Pranlukast
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,DB01017,Minocycline
CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB05442,Etiprednol dicloacetate
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,DB00843,Donepezil
O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ga+3],DB05260,Gallium nitrate
C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[n-]5)C=C4)[n-]3.[Fe+5],DB01710,Porphyrin Fe(III)
C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O,DB02073,Biliverdine IX Alpha
N[C@H](C=O)Cc1cn(-c2nn[nH]n2)cn1,DB02528,Tetrazolyl Histidine
CCCCCCCCCCCCCCCC(=O)O,DB03796,Palmitic Acid
CCCCCCCC/C=C/CCCCCCCC(=O)O,DB04224,Oleic Acid
CCCCCCCCCCCC[N+](C)(C)[O-],DB04147,Dodecyldimethylamine N-oxide
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,DB00555,Lamotrigine
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC,DB00565,Cisatracurium
CO[C@@H]1O[C@@H]2CO[C@@](C)(C(=O)O)O[C@@H]2[C@H](O)[C@H]1O,DB01651,"Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside"
CC1(C(=O)O)OCC(OC(=O)NCCNC(=O)OC2COC(C)(C(=O)O)OC2)CO1,DB07579,"Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane"
C[C@]1(C(=O)O)OC[C@@H](OC(=O)N2CCN(C(=O)O[C@H]3CO[C@@](C)(C(=O)O)OC3)CC2)CO1,DB07580,"BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE"
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,DB00276,Amsacrine
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,DB01041,Thalidomide
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB00396,Progesterone
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,DB00477,Chlorpromazine
O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1,DB11644,Tafamidis
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,DB00493,Cefotaxime
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)O)cc1,DB13967,Patent Blue
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC,DB06713,Norelgestromin
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Fe+2],DB14488,Ferrous gluconate
O.O.O.O.O.O.O.O.O.O.O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3],DB14520,Tetraferric tricitrate decahydrate
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.[Fe+3],DB15617,Ferric derisomaltose
NCC(=O)[O-].NCC(=O)[O-].O=S(=O)(O)O.[Fe+2],DB14501,Ferrous glycine sulfate
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1[O-].[Fe+2],DB14490,Ferrous ascorbate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3],DB14518,Aluminum acetate
CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1,DB06987,(R)-Atenolol
O=C(O)CN(CC(=O)O)CC(=O)O,DB03040,Nitrilotriacetic acid
CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,DB08439,Parecoxib
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,DB04743,Nimesulide
Cn1c(N)nc2ncc(-c3ccc(O)cc3)cc21,DB06898,"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol"
COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,DB06249,Arzoxifene
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,DB11619,Gestrinone
CCN(CC)Cc1ccc(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)Cc5cc(O)ccc5[C@H]4CC[C@]23C)c(OC)c1.O=C(O)CC(O)(CC(=O)O)C(=O)O,DB05966,TAS-108
CCOC(=O)[C@@H]1[C@H](C(=O)OCC)[C@H]2O[C@@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,DB08320,"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE"
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,DB04574,Estrone sulfate
C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,DB09070,Tibolone
C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,DB01431,Allylestrenol
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,DB01357,Mestranol
O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,DB00481,Raloxifene
Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(N2CCN3CCCC[C@H]3C2)cc1,DB03802,"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol"
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,DB06401,Bazedoxifene
C[C@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,DB02615,Compound 19
Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(OCCN2CCCCC2)cc1,DB04471,"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol"
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,DB00624,Testosterone
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,DB00539,Toremifene
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB00957,Norgestimate
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,DB00823,Ethynodiol diacetate
CC1=CC[C@]2(CO)CO[C@H](c3ccc(O)cc3)[C@H]1C2,DB07086,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O,DB02187,Equilin
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB13951,Stanolone acetate
CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,DB00841,Dobutamine
COc1ccc(C(=O)c2ccccc2)c(O)c1,DB01428,Oxybenzone
COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1,DB07932,"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate"
COc1ccc2[nH]cc(CCNC(C)=O)c2c1,DB01065,Melatonin
COc1cccc(/C=N/c2ccc(C)cc2)c1O,DB13869,2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol
COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CCC[C@@H]21,DB08020,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]([18F])[C@@H]2O,DB15690,Fluoroestradiol F-18
Cn1c(N)nc2ncc(-c3ccccc3)cc21,DB08398,"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine"
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB02901,Stanolone
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,DB07991,N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,DB04573,Estriol
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,DB07933,Erteberel
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB00367,Levonorgestrel
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,DB00304,Desogestrel
C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,DB00890,Dienestrol
C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1,DB11478,Zeranol
CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1,DB11541,Ractopamine
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,DB00756,Hexachlorophene
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O,DB12235,Estetrol
C[C@@H]1[C@@H]2[C@@H](c3ccc(O)cc3)OC[C@@]1(CO)CC[C@@H]2C,DB07087,"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"
COC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12,DB07707,"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL"
Cc1ccc(/C=C2/C(=O)C3(C)CCC2C3(C)C)cc1,DB11219,Enzacamene
O=C(c1ccccc1)c1ccccc1,DB01878,Benzophenone
Oc1ccc(-c2n[nH]c3cc(O)ccc23)c(O)c1,DB08048,"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL"
Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,DB00648,Mitotane
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,DB01196,Estramustine
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,DB11064,Homosalate
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,DB01406,Danazol
C[C@@H]1c2cc(O)ccc2O[C@@H](c2ccc(OCCN3CCCC3)cc2)[C@H]1c1ccc(O)cc1,DB07567,"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL"
O=c1cc(-c2ccccc2)oc2ccc3ccccc3c12,DB06732,beta-Naphthoflavone
OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,DB04938,Ospemifene
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB13944,Testosterone enanthate
C=CCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21,DB08047,"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol"
CC/C=C\c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB07678,"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL"
Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,DB06202,Lasofoxifene
COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,DB00269,Chlorotrianisene
CCCOC(=O)c1cc(O)c(O)c(O)c1,DB12450,Propyl Gallate
N#CCc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,DB06927,[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE
C[C@@H](COc1ccc([C@@H]2Oc3ccc(O)cc3S[C@@H]2c2ccc(O)cc2)cc1)N1CCCC1,DB02715,Compound 18
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,DB04575,Quinestrol
Oc1ccc([C@@H]2Oc3cccc(O)c3[C@@H]3CCC[C@@H]32)cc1,DB08737,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL"
COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,DB13310,Ormeloxifene
Oc1ccc(-n2nc3ccc(O)cc3c2Cl)cc1,DB07708,3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
CC1=CC[C@H]2C[C@@H]1[C@H](c1ccc(O)cc1)OC2(C)C,DB08595,"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CCCCC3)cc2)cc1,DB03742,Compound 4-D
CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](OC(=O)CC)[C@@H]2OC(=O)CC,DB14641,Estriol tripropionate
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,DB00882,Clomifene
CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,DB09535,Octocrylene
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB00603,Medroxyprogesterone acetate
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DB06710,Methyltestosterone
CC1=C[C@H](C)[C@]2(CO)CO[C@H](c3ccc(O)cc3)[C@H]1[C@@H]2C,DB07195,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL"
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@]2(C)O,DB06871,17-METHYL-17-ALPHA-DIHYDROEQUILENIN
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,DB00947,Fulvestrant
CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1,DB06374,Elacestrant
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,DB03467,Naringenin
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,DB00655,Estrone
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,DB09371,Norethynodrel
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,DB13943,Testosterone cypionate
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,DB01108,Trilostane
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB01185,Fluoxymesterone
Oc1ccc(-c2cc3ccc(O)cc3s2)cc1,DB08773,2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CC(F)(F)C[C@@H]32)cc1,DB07638,"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL"
CCc1c2cc(O)ccc2nn1-c1ccc(O)cc1,DB07712,3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
NC(N)=Nc1ccc(B2OC[C@@H](CO)O2)cc1,DB07077,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine"
CC(C)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)N)C(=O)c1nccs1)C(C)C,DB07299,4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE
NC(N)=NCc1ccc(B2OC[C@@H](CO)O2)cc1,DB07887,"(R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine"
NC(N)=NCCc1ccc(B2OC[C@@H](CO)O2)cc1,DB07071,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine"
Cc1c(O)cccc1C(=O)Nc1cccc2ccc(C(=N)N)cc12,DB07212,N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE
COC(=O)c1cc(NC(=O)c2cccc(O)c2C)c2cc(C(=N)N)ccc2c1,DB07074,6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
NC(N)=NC[C@H](OC(=O)c1cccnc1)c1ccc(B2OC[C@@H](CO)O2)cc1,DB07023,"(1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate"
N=C(N)c1ccc2cccc(NC(=O)c3cccc(S(=O)(=O)OCCCO)c3)c2c1,DB07022,3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate
N#Cc1cccc([C@@H](NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1,DB15982,Berotralstat
O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO,DB08491,N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1,DB07556,CGS-27023
CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C,DB08482,[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,DB08403,METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C,DB07926,N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,DB00175,Pravastatin
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC(=O)[O-],DB03169,(S)-Hmg-Coa
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,DB00641,Simvastatin
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,DB06693,Mevastatin
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O,DB01098,Rosuvastatin
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,DB00227,Lovastatin
O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,DB08860,Pitavastatin
CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,DB01076,Atorvastatin
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,DB01095,Fluvastatin
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,DB00439,Cerivastatin
O=C(OOC(=O)c1ccccc1)c1ccccc1,DB09096,Benzoyl peroxide
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1,DB08912,Dabrafenib
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,DB00398,Sorafenib
Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,DB02189,"2',3'-Dideoxyadenosine triphosphate"
CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO,DB07657,PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER
CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C,DB03633,Lpc-Ether
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB00591,Fluocinolone acetonide
CCCCCCCCOC[C@H](COP(=O)(O)OCCN)OP(=O)(O)CCCCCCC,DB03565,1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine
CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,DB00972,Azelastine
CCCCCCCCCCCCC(=O)O,DB02448,N-Tridecanoic Acid
CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@@](=O)(O)OC,DB07836,1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O,DB03740,N-acetyl-alpha-D-glucosamine
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,DB08283,"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL"
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB04733,"1,6-DI-O-PHOSPHONO-D-MANNITOL"
O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1OP(=O)(O)O,DB08240,N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE
O=C(COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O,DB02512,"1,6-Fructose Diphosphate (Linear Form)"
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB01384,Paramethasone
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CS,DB09091,Tixocortol
CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,DB00288,Amcinonide
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB00846,Flurandrenolide
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,DB14512,Mometasone furoate
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,DB01047,Fluocinonide
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,DB00741,Hydrocortisone
CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14543,Hydrocortisone probutate
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB00838,Clocortolone
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,DB11921,Deflazacort
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1,DB14541,Hydrocortisone cypionate
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,DB00253,Medrysone
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00663,Flumethasone
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,DB00860,Prednisolone
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,DB00687,Fludrocortisone
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,DB08906,Fluticasone furoate
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14539,Hydrocortisone acetate
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB00351,Megestrol acetate
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB15566,Prednisolone acetate
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF,DB13867,Fluticasone
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,DB08867,Ulipristal
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,DB00620,Triamcinolone
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14596,Loteprednol etabonate
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB13158,Clobetasone
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,DB00635,Prednisone
CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,DB12637,Onapristone
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C,DB05423,ORG-34517
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14540,Hydrocortisone butyrate
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12,DB04630,Aldosterone
CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,DB01410,Ciclesonide
CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB00896,Rimexolone
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB00547,Desoximetasone
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB01130,Prednicarbate
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00223,Diflorasone
CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14544,Hydrocortisone valerate
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DB00443,Betamethasone
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB00180,Flunisolide
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB01260,Desonide
C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,DB00240,Alclometasone
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,DB14631,Prednisolone phosphate
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,DB14583,Segesterone acetate
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,DB00959,Methylprednisolone
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB00324,Fluorometholone
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,DB00717,Norethisterone
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,DB14542,Hydrocortisone phosphate
CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB14538,Hydrocortisone aceponate
CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB06781,Difluprednate
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,DB01222,Budesonide
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB00764,Mometasone
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,DB09095,Difluocortolone
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,DB00394,Beclomethasone dipropionate
CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB13003,Cortivazol
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,DB01380,Cortisone acetate
C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DB00596,Ulobetasol
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB01013,Clobetasol propionate
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,DB14669,Betamethasone phosphate
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,DB00588,Fluticasone propionate
C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12,DB01395,Drospirenone
CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,DB00769,Hydrocortamate
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,DB00759,Tetracycline
N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O,DB04436,3-Fluoro-L-tyrosine
CN1CCN(c2ccccc2C/N=N\C(N)=S)CC1,DB06941,(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide
CCCCC#Cc1ccc(C(=O)NNC(=S)NC)o1,DB07004,2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide
CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,DB00768,Olopatadine
CCCCCC[C@@H](CCC)C(=O)O,DB05343,Arundic acid
COc1ccc(C(=O)c2ccccc2O)c(O)c1,DB11221,Dioxybenzone
O=C1C[C@@H](c2ccc(O)cc2)Oc2ccccc21,DB04429,4'-Hydroxyflavanone
Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1,DB11674,Equol
C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1,DB00179,Masoprocol
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1,DB01873,Epothilone D
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,DB03010,Patupilone
CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,DB09092,Xanthinol
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,DB02059,Adenosine-5-Diphosphoribose
N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB03893,Thionicotinamide-Adenine-Dinucleotide
NCCc1ccc(S(=O)(=O)F)cc1,DB07347,4-(2-Aminoethyl)Benzenesulfonyl Fluoride
O=C(O)CCCc1c[nH]c2ccccc12,DB02740,3-Indolebutyric Acid
Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1,DB11652,Tucatinib
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1,DB14723,Larotrectinib
CCn1c2ccccc2c2cc(CNC)ccc21,DB08363,1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,DB00284,Acarbose
OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB01922,"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam"
C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,DB02218,"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside"
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,DB03495,"4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose"
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB04453,"4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose"
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB03971,Acarbose Derived Hexasaccharide
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB04618,"4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE"
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,DB02889,"4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose"
COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB02342,2-Methoxyestradiol
O=C1Nc2ccccc2/C1=C1\Nc2ccccc2C1=O,DB12379,Indirubin
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB01643,Thymidine monophosphate
NC(N)=N/C(N)=N/c1cc(C(F)(F)F)ccc1Cl,DB08478,N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
O=c1[nH]c(=O)n(C2CCCO2)cc1F,DB09256,Tegafur
CCc1nc(N)nc(N)c1-c1ccccc1,DB07577,"2,4-Diamino-5-phenyl-6-ethylpyrimidine"
CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,DB01101,Capecitabine
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,DB00432,Trifluridine
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,DB00441,Gemcitabine
C#CCN(Cc1ccc2[nH]c(N)nc(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DB03541,"10-Propargyl-5,8-Dideazafolic Acid"
O=c1[nH]c(=O)n(C2CCCO2)cc1F.O=c1cc[nH]c(=O)[nH]1,DB09327,Tegafur-uracil
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,DB00322,Floxuridine
COc1cc(NC(=N)NC(=N)N)cc(OC)c1,DB08479,"N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide"
COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1,DB05116,Thymectacin
O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1,DB03800,Deoxyuridine monophosphate
Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,DB00293,Raltitrexed
CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl,DB08734,"6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE"
C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB01890,"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide"
CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,DB02643,"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate"
C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1,DB01078,Deslanoside
CC[N+](C)(C)Cc1ccccc1Br,DB01158,Bretylium
CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O,DB00511,Acetyldigitoxin
CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Mg+2],DB14515,Magnesium lactate
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,DB00903,Etacrynic acid
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,DB01244,Bepridil
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,DB01396,Digitoxin
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,DB01092,Ouabain
C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,DB01430,Almitrine
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Mg+2],DB14514,Magnesium levulinate
Cc1nc2cc(C(=O)N(C)C)cc(O[C@H]3CCOc4cc(F)cc(F)c43)c2[nH]1,DB16690,Tegoprazan
Cc1cc(C2CCCCC2)n(O)c(=O)c1,DB01188,Ciclopirox
C[C@]12CCC(=NOCCN)C[C@@H]1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB06157,Istaroxime
CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,DB09020,Bisacodyl
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,DB00390,Digoxin
CN1CC[C@@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3N(C)[C@@H]12,DB04892,Phenserine
CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1,DB09149,Florbetapir (18F)
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,DB00746,Deferoxamine
OC1CN(CCCOCCc2ccc3sccc3c2)C1,DB05938,Edonerpic
CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1,DB09148,Florbetaben (18F)
CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F],DB09151,Flutemetamol (18F)
N[C@@H](CSCCS(N)(=O)=O)C(=O)O,DB02689,S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine
N=C(NO)NCCC[C@H](N)C(=O)O,DB03144,N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine
N[C@@H](CSCC[B-](O)(O)O)C(=O)O,DB03731,S-2-(Boronoethyl)-L-Cysteine
N[C@@H](CC/C=C/[B-](O)(O)O)C(=O)O,DB04585,DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
N[C@@H](CCCC[B-](O)(O)O)C(=O)O,DB01983,2(S)-Amino-6-Boronohexanoic Acid
O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,DB02115,Daidzin
CCN(CC)C(=S)SSC(=S)N(CC)CC,DB00822,Disulfiram
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12,DB05812,Abiraterone
CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,DB05667,Levoketoconazole
CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,DB00357,Aminoglutethimide
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC,DB13242,Bucladesine
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1,DB00535,Cefdinir
CN1Cc2c(N)cccc2C(c2ccccc2)C1,DB04821,Nomifensine
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,DB11994,Diacerein
O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12,DB07453,alpha-Naphthoflavone
COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O,DB09338,Mersalyl
C[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1,DB08413,METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER
O=C(O)[C@@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O,DB02264,O2-Sulfo-Glucuronic Acid
O=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1,DB04409,Naphthalene Trisulfonate
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,DB06589,Pazopanib
O=S(=O)(O)O[C@@H]1[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)OC[C@H]1O,DB00686,Pentosan polysulfate
O=S(=O)(O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O[C@@H]1O,DB03959,"N,O6-Disulfo-Glucosamine"
O=S(=O)(O)OC[C@H]1O[C@@](COS(=O)(=O)O)(O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O,DB01901,Sucrosofate
CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,DB01025,Amlexanox
Nc1cccc2cc(S(=O)(=O)O)ccc12,DB08238,5-aminonaphthalene-2-sulfonic acid
CC(/C=C/C=C(\C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)=C\C(=O)O,DB05785,LGD-1550
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,DB01029,Irbesartan
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,DB00570,Vinblastine
NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3[O-])nc2c1,DB03643,CRA_1144
O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1,DB00522,Bentiromide
Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2,DB04461,Coproporphyrinogen III
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)C(CCC(=O)O)=C4C)c(CCC(=O)O)c3C,DB03727,Coproporphyrin I
Cc1ccsc1C(=O)Nc1cc(CN2CCN(C(=O)CO)CC2)ccc1/C=C/c1n[nH]c2ccccc12,DB16637,KW-2450 free base
Cc1cccc(Nc2nc(Nc3ccc(CC(=O)O)cc3)ncc2C(N)=O)c1,DB08513,[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
C[C@@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,DB15399,BMS-754807
C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,DB06075,Linsitinib
Clc1ccccc1Nc1ncc(-c2ccccc2)n2cncc12,DB08055,"N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine"
Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN[C@@H](C)C3)cc2n2cncc12,DB08057,"N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine"
Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12,DB08056,"N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine"
c1ccc(-c2oc3ncnc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1,DB07297,"5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE"
CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1,DB16656,Zotiraciclib
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@H](O)[C@H]1O,DB04395,Phosphoaminophosphonic Acid-Adenylate Ester
CC(=O)N[C@@H](Cc1ccc(OCC(=O)O)c(P(=O)(O)O)c1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1,DB04003,{4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid
c1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1,DB07146,"2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE"
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(N)ncc2c1,DB06925,3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
CC(C)(C)n1[nH+]c(-c2ccc(Cl)cc2)c2c(N)ncnc21,DB03023,"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine"
CC(=O)N[C@@H](Cc1ccc(P(=O)(O)O)c(P(=O)(O)O)c1)C(=O)N[C@H]1CCCCc2cc(OCC3CCCCC3)c(C(N)=O)cc21,DB01830,AP-22408
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,DB09079,Nintedanib
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,DB00941,Hexafluronium
Nc1c2c(nc3ccccc13)CCCC2,DB00382,Tacrine
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1,DB00944,Demecarium
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,DB00772,Malathion
CCCCCCP(=O)(O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,DB08200,(1R)-menthyl hexyl phosphonate group
CCCCCCCCCCCCS(=O)(=O)[O-],DB07681,DODECANESULFONATE ION
CCCCCCP(=O)(O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,DB08201,(1S)-menthyl hexyl phosphonate group
c1ccc(CNc2c3c(nc4ccccc24)CCCC3)cc1,DB03672,9-N-Phenylmethylamino-Tacrine
Ic1cccc(CNc2c3c(nc4ccccc24)CCCC3)c1,DB07940,"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE"
CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,DB00989,Rivastigmine
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1,DB01408,Bambuterol
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,DB00674,Galantamine
CNC1(c2ccccc2Cl)CCCCC1=O,DB01221,Ketamine
CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,DB00449,Dipivefrin
CCOP(=O)(OCC)SCC[N+](C)(C)C,DB01057,Echothiophate
CN(C)C(=O)Oc1ccc[n+](C)c1,DB00545,Pyridostigmine
C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2,DB02621,Latrunculin A
CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,DB12941,Darolutamide
CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB09124,Medrogestone
COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C,DB06680,Asoprisnil
Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2,DB04787,Tanaproget
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,DB00378,Dydrogesterone
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB06789,Hydroxyprogesterone caproate
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC,DB00294,Etonogestrel
CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,DB13857,Demegestone
COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,DB05253,Telapristone acetate
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,DB02998,Metribolone
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC,DB09389,Norgestrel
C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,DB06730,Gestodene
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,DB09123,Dienogest
NC1=NC(=O)C([C@H]2CCNC(=O)C3=NC(Br)=C[C@H]32)=N1,DB02950,Hymenialdisine
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O,DB02052,Indirubin-3'-monoxime
COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2,DB03428,SU9516
O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1,DB04014,Alsterpaullone
O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl,DB08142,AT-7519
Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc21,DB02116,Olomoucine
Nc1nccc(-c2ccc(O)c(-c3ccnc(N)n3)n2)n1,DB16652,Avotaciclib
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1,DB06195,Seliciclib
CC[C@H]1O[C@]2(C)[C@H](OC(C)=O)[C@@]1(C)O[C@@H](/C=C/C=C/C=C/c1oc(=O)cc(OC)c1C)[C@@H]2O,DB07394,AUROVERTIN B
Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1,DB08399,Piceatannol
CC(C)C[C@H](N)CN1CCCN2CCC[C@H]21,DB08629,"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE"
CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O,DB08217,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate"
Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c2[nH]c(N)nc(=O)c21,DB01649,7-methyl-GpppA
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,DB02716,7-methyl-guanosine-5'-triphosphate
CN1CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,DB01960,"7-methyl-7,8-dihydroguanosine-5'-diphosphate"
CN(CC(=O)O)C(=N)NP(=O)(O)O,DB13191,Phosphocreatine
O=C(O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB03042,5-Phosphoarabinonic Acid
O=C(NO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB02093,5-phospho-D-arabinohydroxamic acid
O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,DB02007,alpha-D-glucose 6-phosphate
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,DB02548,D-glucitol 6-phosphate
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB04493,Fructose-6-phosphate
O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB02076,6-phospho-D-gluconic acid
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB03581,Glucose-6-Phosphate
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,DB03222,dATP
O[C@@H]1[C@H](O)Cc2c(ccc3ccc4ccccc4c23)[C@H]1O,DB07479,"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL"
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,DB00987,Cytarabine
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,DB00451,Levothyroxine
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1,DB12228,Telcagepant
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1,DB04869,Olcegepant
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,DB01083,Orlistat
CCCCCCCCCCC[P@@H](=O)OCCCC,DB02457,Undecyl-Phosphinic Acid Butyl Ester
N[C@@H](Cc1ccc(O)cc1)C(=O)O,DB00135,Tyrosine
C[C@](N)(Cc1ccc(O)cc1)C(=O)O,DB00765,Metyrosine
N[C@@H](Cc1cccc(O)c1)C(=O)O,DB03552,3-Tyrosine
N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,DB00509,Dextrothyroxine
NC[C@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O,DB03615,Ribostamycin
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,DB04839,Cyproterone acetate
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1,DB07202,6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1,DB12978,Pexidartinib
CC1CCN(c2ccc(CO)cc2NC(=O)c2ccc(C#N)o2)CC1,DB07167,5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE
COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,DB12147,Erdafitinib
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,DB06080,Linifanib
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,DB01268,Sunitinib
CC(C)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O,DB07542,5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
CC(C)C[C@H](O)[C@H](O)[C@@H](N)CC1CCCCC1,DB08740,"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE"
CC(C)Cc1ccc(C(C)C(=O)O)cc1,DB01050,Ibuprofen
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CF,DB04653,N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide
CC(C)C[C@H](NC(=O)[C@@H](O)CC(=O)O)C(=O)NCCCC[NH+]=C(N)N,DB04276,4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium
CC(C)C[C@H](NC(=S)Nc1ccccc1)C(=O)N[C@@H]1CO[C@H](O)C1,DB07627,(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE
CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C,DB12334,Milataxel
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,DB00361,Vinorelbine
O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,DB06137,Tirbanibulin
COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1C(NC(C)=O)CC2,DB15534,Colchiceine
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,DB01179,Podofilox
COc1ccc(C[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O,DB05284,CA4P
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)C[N@](Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,DB11641,Vinflunine
CC[C@]1(O)C[C@@H]2C[N@@](CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,DB00541,Vincristine
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,DB01394,Colchicine
N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1,DB03608,Diminazene
N=C(N)c1ccc([C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)cc1,DB08763,[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE
CCOB(OCC)[C@@H](N)CCCCN,DB06840,"diethyl [(1R)-1,5-diaminopentyl]boronate"
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4F)c3[O-])nc2c1,DB01741,CRA_17693
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O,DB03555,CRA_11092
N=C(N)c1ccc2nc(-c3cc([C@@H](CC(=O)[O-])C(=O)O)cc(Br)c3[O-])[nH]c2c1,DB02063,CRA_16847
Cc1c(F)c(Oc2cccc(C(=N)N)c2)[nH+]c(Oc2cccc(C(=N)N)c2)c1F,DB04432,ZK-805623
CC(C)COc1cccc(-c2nc3cc(C(=N)N)c(Cl)cc3[nH]2)c1O,DB02989,CRA_10972
NC(=[NH2+])c1ccc2nc(Cc3nc4ccc(C(=[NH2+])[NH3+])cc4[nH]3)[nH]c2c1,DB01705,Bis(5-Amidino-Benzimidazolyl)Methane
Cc1ccccc1-c1cc2ccc(C(=N)N)cc2[nH]1,DB06918,2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE
N=C(N)c1ccc2[nH]c(C(=O)c3nc4ccc(C(=N)N)cc4[nH]3)nc2c1,DB01876,Bis(5-Amidino-2-Benzimidazolyl)Methanone
NC(=[NH2+])c1ccc2[nH]c(-c3cc(F)ccc3[O-])nc2c1,DB02875,CRA_1802
NC(=[NH2+])c1ccc2[nH]c(-c3cc(OC(F)(F)F)ccc3[O-])nc2c1,DB03595,CRA_9785
Cc1cc(Br)c([O-])c(-c2cc3cc(C(N)=[NH2+])ccc3[nH]2)c1,DB04215,CRA_9076
CS(=O)(=O)c1ccc(C(=N)N)cc1,DB07368,4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE
CC(C)COc1cccc(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1[O-],DB04470,CRA_10656
N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O,DB03374,"3,5-Diiodotyrosine"
C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(=N)N)c2)cc1,DB02269,[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1,DB04238,N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3[O-])cc2c1,DB03173,CRA_10433
COc1ccccc1-c1cc([C@@H](CC(=O)[O-])C(=O)O)cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1[O-],DB02084,CRA_17312
COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,DB01745,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester
COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C,DB03081,"[N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine"
O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1,DB01836,"[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone"
CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,DB04125,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine
N=C(N)c1ccc(O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc2cccc(C(=N)N)c2)cc1,DB04791,"2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL"
Cc1ccccc1-c1cc2cc(C(=N)N)ccc2[nH]1,DB08184,2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
N=C(N)c1ccc2nc(-c3cc(CC[NH3+])cc(-c4ccccc4)c3O)[nH]c2c1,DB04246,CRA_23653
N=C(N)c1ccc(O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc2cccc(C(=N)N)c2)cc1,DB04793,"1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol"
N=C(N)c1cccc(O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc2cccc(C(=N)N)c2)c1,DB04790,"2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol"
NC(=[NH2+])c1cc2cc(-c3cccc(OC4CCCC4)c3[O-])[nH]c2cc1Cl,DB01771,CRA_10991
N=C(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1,DB04336,1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1,DB01737,"Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester"
NC(=[NH2+])c1ccc2[nH]c(-c3ccc[nH]c3=O)nc2c1,DB04442,"Imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-benzimidazol-5-yl]methanaminium"
N=C(N)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl,DB02366,CRA_10762
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(CN)c2)cc1,DB04424,RPR128515
NC(N)c1ccc2c(c1)[nH]c1[n+]2[Zn][n+]2c([nH]c3cc(C(N)N)ccc32)C1=O,DB03443,bis(5-amidino-benzimidazolyl)methanone zinc
N=C(N)c1ccc(C[C@@H]2CCCC[C@@H](Cc3ccc(C(=N)N)cc3)C2=O)cc1,DB02081,Bis-Benzamidine
CC(C)(C)NC(=O)N1CCN(C(=O)N[C@H](C(=O)O)[C@H](C=O)CCCN=C(N)N)CC1,DB03417,"(2S,3R)-2-[[4-(Tert-butylcarbamoyl)piperazine-1-carbonyl]amino]-6-(diaminomethylideneamino)-3-formylhexanoic acid"
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1,DB02812,RWJ-56423
N=C(N)c1ccc(O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc2ccc(C(=N)N)cc2)cc1,DB04792,"2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL"
Cc1cc(Br)c([O-])c(-c2nc3cc(C(N)=[NH2+])ccc3[nH]2)c1,DB02288,CRA-9334
Nc1c(Br)c(C(=O)O)c(Br)c(C(=O)O)c1Br,DB07491,"5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid"
CC(=N)N1CCC(Oc2ccc3c4ccccc4n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,DB02112,Zk-806450
Cc1nc2ccccc2n1Cc1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C,DB02354,4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine
CC(=N)N1CCC(Oc2ccc3nc(C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1,DB03373,ZK-806711
COC(=O)C[C@H](CCc1ccc(C(=N)N)cc1)c1cccc(C(=N)N)c1,DB07985,+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,DB02744,RPR131247
N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(Br)c3O)cc2c1,DB04563,CRA_9678
N=C(N)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1,DB03337,1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea
CCOC(=O)CO/N=C(/c1ccccn1)C1(c2ccc3c(c2)nc(CNc2ccc(C(=N)N)cc2)n3C)CC1,DB04107,[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester
N=C(N)c1ccc2nc(C(O)(O)c3nc4ccc(C(=[NH2+])[NH3+])cc4[nH]3)[nH]c2c1,DB04301,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate
N=C(N)c1ccc2nc(C(=O)c3nc4cc(C(=[NH2+])[NH3+])ccc4[nH]3)[nH]c2c1,DB03213,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone
N=C(N)c1ccc2nc(-c3ncccc3O)[nH]c2c1,DB03016,CRA_1801
COc1cc(-c2ccccc2)c([O-])c(-c2cc3cc(C(N)=[NH2+])ccc3[nH]2)c1,DB07229,"3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE"
NC(=[NH2+])c1ccc2[n-]c(Cc3nc4cc(C(N)=[NH2+])ccc4[n-]3)nc2c1.[Zn+2],DB04008,Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium
Cc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,DB06923,2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE
NC(=[NH2+])c1ccc2[nH]c(-c3ccccc3O)cc2c1,DB02463,2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine
NC(N)=NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,DB03251,RWJ-51084
N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)CNC(=O)/C=C/[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O,DB04269,Cyclotheonamide A
CC(C)OP(=O)(O)OC[C@H](N)C(=O)O,DB01805,Monoisopropylphosphorylserine
N#Cc1cccc(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)B(O)O)c1,DB08420,1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID
CC[C@@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)NCCCCN=C(N)N)C[C@@H]2CC[C@@H](OS(=O)(=O)O)C[C@@H]21,DB04391,Aeruginosin 98-B
N[C@@H](COS(=O)(=O)Cc1ccccc1)C(=O)O,DB01973,O-Benzylsulfonyl-Serine
OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,DB00938,Salmeterol
CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,DB05039,Indacaterol
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,DB00598,Labetalol
CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,DB01001,Salbutamol
O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,DB01238,Aripiprazole
CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1,DB06814,Protokylol
CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1,DB06216,Asenapine
C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,DB00248,Cabergoline
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,DB00221,Isoetharine
Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1,DB01102,Arbutamine
CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2,DB01203,Nadolol
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,DB00489,Sotalol
CC(C)NCC(O)COc1cccc2[nH]ccc12,DB00960,Pindolol
CC(C)(C)NCC(O)c1cc(O)cc(O)c1,DB00871,Terbutaline
C=CCOc1ccccc1OCC(O)CNC(C)C,DB01580,Oxprenolol
CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,DB00373,Timolol
CNC(C)Cc1ccccc1OC,DB13624,Methoxyphenamine
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,DB00901,Bitolterol
CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,DB01182,Propafenone
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,DB13139,Levosalbutamol
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,DB04861,Nebivolol
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,DB01288,Fenoterol
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,DB04846,Celiprolol
CC[C@@H](NC(C)C)[C@@H](O)c1ccc(O)c2[nH]c(=O)ccc12,DB01366,Procaterol
CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12,DB07543,(S)-carazolol
CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C,DB01214,Metipranolol
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,DB01136,Carvedilol
CC(C)NCC(O)c1cc(O)cc(O)c1,DB00816,Orciprenaline
CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,DB01359,Penbutolol
OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,DB09082,Vilanterol
Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1,DB08808,Bupranolol
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,DB00335,Atenolol
CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1,DB09204,Arotinolol
CC(COc1ccccc1)N(CCCl)Cc1ccccc1,DB00925,Phenoxybenzamine
CC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1,DB09013,Befunolol
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,DB00612,Bisoprolol
CC(C)(C)NCC(O)c1ccccc1Cl,DB12248,Tulobuterol
CCOc1ccccc1OCC1CNCCO1,DB09185,Viloxazine
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,DB01291,Pirbuterol
CCN(C)[C@@H](C)[C@H](O)c1ccccc1,DB11587,Etafedrine
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,DB01193,Acebutolol
CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,DB00195,Betaxolol
CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2,DB00521,Carteolol
CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,DB01210,Levobunolol
COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1,DB09080,Olodaterol
COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC,DB01295,Bevantolol
CC(C)NCC(O)COc1cccc2ccccc12,DB00571,Propranolol
Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,DB08807,Bopindolol
NCCCNCCCCNCCCN,DB00127,Spermine
COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,DB00983,Formoterol
CNCCCN1c2ccccc2CCc2ccccc21,DB01151,Desipramine
CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2,DB05590,Bedoradrine
COCCc1ccc(OCC(O)CNC(C)C)cc1,DB00264,Metoprolol
C=CCc1ccccc1OCC(O)CNC(C)C,DB00866,Alprenolol
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,DB01274,Arformoterol
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,DB01966,Di-Stearoyl-3-Sn-Phosphatidylethanolamine
CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1,DB03747,N-Acetyl-glucosamine thiazoline
CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O,DB02813,"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone"
CC(=O)N[C@H]1NC[C@H](CO)[C@H](O)[C@@H]1O,DB03861,"(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine"
O=C(O)Cc1ccc(-c2ccccc2)cc1,DB07477,Felbinac
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)[C@@H](C)CC,DB07224,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE"
CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC,DB07223,"METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE"
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC,DB07225,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE"
CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)[C@@H](C)CC,DB07219,"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE"
CC(=O)[C@@H](N)COCc1ccccc1,DB02148,3-Amino-4-Oxybenzyl-2-Butanone
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@@H](C)CC)[C@@H](C)O,DB04579,"N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine"
CCCNC(=O)[C@@H](O)CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)CC,DB02855,N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline
Cc1cccc(C[C@H](N)C(=O)O)c1,DB02685,3-Methylphenylalanine
O=C(O)C(c1ccccc1)c1ccccc1,DB03588,Diphenylacetic acid
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(=O)O,DB04126,N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC,DB07160,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE"
CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O,DB07231,"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE"
Cc1cc(C#Cc2ccccc2CNn2ccoc2=O)nc(N)n1,DB07324,"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE"
CCOc1ccc(-c2c(C#N)c(N)nc3sc(C(N)=O)c(N)c23)cc1,DB08788,"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE"
CC(C)NCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21,DB07877,"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE"
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,DB07502,"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol"
CCc1cc(-c2n[nH]c(C(=O)O)c2-c2ccc3c(c2)OCO3)c(O)cc1O,DB02840,"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid"
COCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O,DB08557,"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide"
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O,DB00615,Rifabutin
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,DB02424,Geldanamycin
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,DB07601,"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol"
Oc1cc(O)c(-c2[nH]ncc2N2CCNCC2)cc1Cl,DB07100,"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL"
C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21,DB02550,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine"
CS(=O)(=O)c1ccc(CN2CCN(c3cn[nH]c3-c3cc(Cl)c(O)cc3O)CC2)cc1,DB06957,"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL"
CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1N1CCNCC1,DB06958,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE"
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,DB06964,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE"
Cc1cc(CNS(=O)(=O)c2cccc(N/C=C3\CCOC3=O)c2)nc(N)n1,DB07325,N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)ncnc21,DB02359,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine"
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,DB03749,"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole"
CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc21,DB04054,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine"
CCNC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)nc(N)nc2s1,DB08789,"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE"
CCCCn1c(Cc2ccc(OC)cc2)nc2c(N)ncnc21,DB03899,9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine
CCc1cc(-c2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,DB07594,CCT-018159
CCCCn1c(Cc2cccc(OC)c2)nc2c(N)ncnc21,DB03809,9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine
Cc1nc(N)nc2c1/C(=N/O)C[C@@H](c1ccc(F)cc1-c1cccnc1)C2,DB08197,"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime"
CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21,DB02754,"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine"
COc1ccc(OC)c(Cc2nc3nc(F)nc(N)c3[nH]2)c1,DB03093,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine"
C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,DB04505,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine"
O=C1OCC/C1=C\Nc1ccccc1,DB07317,(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one
Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(O)cc1O,DB08442,"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol"
CCNC(=O)c1n[nH]c(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,DB07495,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE"
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1,DB06961,"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide"
CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](OC(=O)CN)CC4)c3)c2C1,DB06070,SNX-5422
CCCCn1c(Cc2ccc3c(c2)OCO3)nc2c(N)ncnc21,DB08436,"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-"
Nc1ncc(/N=N/c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1,DB08787,"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine"
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(=N)O)[C@@H](OC)/C=C\C=C(/C)C(O)=NC(=CC1=O)C2=O,DB05134,Tanespimycin
CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1,DB06969,"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide"
Nc1nc(N)nc(-c2cc3ccccc3cc2Br)n1,DB07319,"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE"
C#CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc21,DB03137,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine"
CCCCn1c(Cc2ccc3c(c2)OCO3)nc2c(N)nc(F)nc21,DB04254,"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine"
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,DB12442,Alvespimycin
O=C(c1c(O)cc(O)cc1O)n1cccc1,DB08443,"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol"
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,DB00716,Nedocromil
CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,DB03504,"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine"
COCCOc1cc(C)nc(N)n1,DB08786,4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
NS(=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1,DB04588,"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE"
CC(=O)c1ccc(NC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1,DB06956,"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE"
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,DB09078,Lenvatinib
S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1,DB12742,Amuvatinib
COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1,DB15685,Selpercatinib
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC,DB08875,Cabozantinib
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1,DB01809,"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine"
Cc1cn([C@@H]2C[C@@H](O)[C@H](CN3CCCC3)O2)c(=O)[nH]c1=O,DB08661,"1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2C[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,DB03186,Adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate]
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O,DB03447,Uridylyl-2'-5'-phospho-adenosine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O,DB02098,Adenosine-2'-5'-Diphosphate
Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n4ccc(=O)[nH]c4=O)[C@@H](O)[C@H]3O)c2[nH]1,DB04514,Uridylyl-2'-5'-phospho-guanosine
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)n1,DB01961,Cytidine 3'-monophosphate
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]2O)c(=O)[nH]1,DB02805,Arabinouridine 3'-phosphate
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O,DB02363,2'-Monophosphoadenosine-5'-Diphosphate
Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)n1,DB02573,"2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate"
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1,DB02714,3'-Uridinemonophosphate
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O,DB03726,Purine Riboside-5'-Monophosphate
O=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](CO)O2)c(=O)[nH]1,DB03448,2'-Deoxyuridine 3'-Monophosphate
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2F)c(=O)[nH]1,DB03155,2'-fluoro-2'-deoxyuridine 3'-monophosphate
Nc1ccn(C2CC(OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)C[C@@H]3O)C(CO)O2)c(=O)n1,DB03326,"Deoxycytidylyl-3',5'-guanosine"
O=c1ccn([C@@H]2O[C@@H](CO)[C@H]3O[V](=O)(O)(O)O[C@@H]32)c(=O)[nH]1,DB03512,"Uridine-2',3'-vanadate"
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)c(=O)n1,DB03765,2'-cytidylic acid
Cc1cn([C@H]2C[C@H](O)[C@@H](CN3CCCCC3)O2)c(=O)[nH]c1=O,DB08596,5'-deoxy-5'-piperidin-1-ylthymidine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,DB01842,3'-Phosphate-Adenosine-5'-Diphosphate
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12,DB07474,3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE
O=C1NC(=O)c2ccc(Br)cc2/C1=C/Nc1ccc(CN2CCCC2)cc1,DB07156,"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione"
CCCCCCCCCCCCCCCC=O,DB03381,Hexadecanal
CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB02451,B-nonylglucoside
CCCCCCCCOCCOCCOCCOCCO,DB04233,(Hydroxyethyloxy)Tri(Ethyloxy)Octane
CCCCCCCCO[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O,DB03152,B-2-Octylglucoside
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,DB01728,"1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine"
CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB04450,Heptyl 1-Thiohexopyranoside
CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1,DB13581,Rociverine
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,DB01337,Pancuronium
OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,DB01224,Quetiapine
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,DB00280,Disopyramide
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,DB00424,Hyoscyamine
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,DB00376,Trihexyphenidyl
CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,DB14185,Aripiprazole lauroxil
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3,DB01336,Metocurine
CN(C)CC/C=C1\c2ccccc2CSc2ccccc21,DB09167,Dosulepin
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,DB00986,Glycopyrronium
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,DB01338,Pipecuronium
CN(C)CCC(c1ccc(Br)cc1)c1ccccn1,DB00835,Brompheniramine
Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,DB01148,Flavoxate
CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21,DB00940,Methantheline
C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.[Br-],DB00725,Homatropine methylbromide
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12,DB01409,Tiotropium
CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,DB12278,Propiverine
O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,DB00246,Ziprasidone
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,DB09076,Umeclidinium
CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12,DB00747,Scopolamine
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,DB04834,Rapacuronium
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,DB00342,Terfenadine
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,DB01036,Tolterodine
COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,DB01403,Methotrimeprazine
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,DB00804,Dicyclomine
CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1,DB00505,Tridihexethyl
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,DB11235,Thonzylamine
OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,DB01231,Diphenidol
CN(C)CCOC(c1ccccc1)c1ccccc1,DB01075,Diphenhydramine
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,DB00572,Atropine
Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,DB09262,Imidafenacin
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,DB01062,Oxybutynin
COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,DB00907,Cocaine
O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,DB01591,Solifenacin
CCCC[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12,DB09300,Butylscopolamine
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,DB00622,Nicardipine
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1,DB00728,Rocuronium
CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,DB00809,Tropicamide
CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,DB08801,Dimetindene
CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1,DB06702,Fesoterodine
CC(CN1c2ccccc2Sc2ccccc21)N(C)C,DB01069,Promethazine
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2,DB11181,Homatropine
CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O,DB00767,Benzquinamide
C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.[Br-],DB00462,Methscopolamine bromide
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,DB00392,Profenamine
CNCCCC12CCC(c3ccccc31)c1ccccc12,DB00934,Maprotiline
CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,DB00332,Ipratropium
CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,DB00434,Cyproheptadine
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,DB00387,Procyclidine
C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,DB06787,Hexocyclium
CN1CCC(=C2c3ccccc3CCc3sccc32)CC1,DB06153,Pizotifen
CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,DB00383,Oxyphencyclimine
CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,DB01239,Chlorprothixene
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,DB00508,Triflupromazine
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,DB00408,Loxapine
CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.[Br-],DB00517,Anisotropine methylbromide
CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,DB09089,Trimebutine
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,DB08897,Aclidinium
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,DB00334,Olanzapine
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,DB00496,Darifenacin
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],DB00483,Gallamine triethiodide
CN(C)CCC=C1c2ccccc2COc2ccccc21,DB01142,Doxepin
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,DB00202,Succinylcholine
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,DB01625,Isopropamide
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,DB00446,Chloramphenicol
CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(NC(C)C)cc3)[nH]2)cc1,DB14069,ONT-093
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,DB14066,Tetrandrine
O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1,DB06191,Zosuquidar
COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,DB14063,Dexverapamil
CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,DB09031,Miltefosine
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,DB14061,Hycanthone
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2,DB06240,Tariquidar
CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C,DB14072,Reversin 121
O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1,DB14067,Dofequidar
C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C,DB14062,Concanamycin A
COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2,DB04881,Elacridar
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1,DB14068,Dexniguldipine
CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,DB00813,Fentanyl
N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,DB14071,Desmethylsertraline
C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1C2C(=O)OC,DB04877,Voacamine
COc1cc2c(cc1OC)CN(CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2,DB14070,HM-30181
CC(C)C(C#N)(CCCN(C)CCc1ccccc1)c1ccccc1,DB14064,Emopamil
COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC,DB14065,Lomerizine
COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,DB00661,Verapamil
CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,DB04905,Tesmilifene
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,DB00778,Roxithromycin
[N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@@H](F)[C@@H]1O,DB16407,Azvudine
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2,DB16165,Finerenone
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,DB00393,Nimodipine
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB06780,Desoxycorticosterone acetate
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01134,Desoxycorticosterone pivalate
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,DB04652,Corticosterone
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,DB00700,Eplerenone
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,DB01023,Felodipine
COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O)c1OC,DB08465,"2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE"
O=C1CCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,DB08292,"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE"
C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,DB03758,Radicicol
COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cc(O)c(OC)cc1O,DB08464,"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE"
NCCCOc1ccc(-c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1,DB08045,"4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL"
O=C1CCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,DB08293,"(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE"
O=C1CCCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,DB08153,"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE"
O=C1CCCC/C=C/CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,DB08346,"(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE"
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,DB12622,Lupeol
CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)[C@@H](O)c1nnc(C(C)(C)C)o1,DB03925,Freselestat
CC(C)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)C(F)(F)C(F)(F)F)C(C)C,DB02341,"Mdl 101,146"
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,DB01197,Captopril
CCCCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CCN3CCOCC3)[C@@H](C(=O)NO)C(C)C)cc2)cc1,DB01630,SC-74020
O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O,DB04866,Halofuginone
COCCN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@H](CCCO)C(=O)NO)C1=O,DB02090,A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor
COc1ccc(S(=O)(=O)N2CN(Cc3ccccc3)C(=O)C[C@@H]2C(=O)NO)cc1,DB04140,1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide
N#Cc1ccc(-c2ccc(OCCC(=O)NO)cc2)cc1,DB08030,3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide
CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1,DB07988,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide"
O=C(C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1,DB07987,"[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester"
COC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NCc1ccc(-c2ccccc2)cc1)C(C)C,DB08643,2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
CC(C)C[C@H](C(=O)NO)N(Cc1ccccc1)[P@](C)(=O)c1ccccc1,DB08507,N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
O=C(O)CNS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1,DB07986,[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID
CON[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1,DB01877,"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide"
CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,DB03368,"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione"
O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1,DB02449,3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid
COCC#CC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C(=O)O,DB04416,"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid"
COc1ccc(S(=O)(=O)N2CCCSC(C)(C)[C@H]2C(=O)NO)cc1,DB02350,"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide"
COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)C[C@@H]2C(=O)NO)cc1,DB04232,N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CNC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1n[nH]c(=S)s1,DB07390,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide"
O=C(CN(CCO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO,DB08029,N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide
CCCCOc1ccc(S(=O)(=O)N2C[C@@H](NS(C)(=O)=O)C[C@@H]2C(=O)NO)cc1,DB02367,(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine
CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,DB04132,S-Hexylglutathione
N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)O)C(=O)O,DB03602,S-benzylglutathione
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,DB13014,Hypericin
N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O,DB03003,Glutathione sulfonic acid
COc1ccc(CSC[C@H](NC(=O)CCCN)C(=O)NCC(=O)O)cc1,DB02943,N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB03619,Deoxycholic acid
O=C(c1ccc2ccccc2c1)[C@@H](c1cccc2ccccc12)P(=O)(O)O,DB02360,Bis-Napthyl Beta-Ketophosphonic Acid
CN(C(=O)c1cc2ccccc2cc1C(=O)[C@@H](c1cccc2ccccc12)P(=O)(O)O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1,DB04016,2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid
C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)C[P@](=O)(O)[C@H](C)N)C(=O)O,DB02062,"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine"
CC(C)C[C@H](NP(=O)(O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,DB02557,Phosphoramidon
CCCCC[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O,DB02597,"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala"
O=C(O)CNC(=O)[C@@H](CS)Cc1ccccc1,DB08626,Thiorphan
SC[C@@H](Cc1ccccc1)c1nc2c[nH+]ccc2[nH]1,DB08575,"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM"
O=C(N[C@H]1CCS[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1,DB00886,Omapatrilat
COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)O,DB11623,Candoxatrilat
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](S)Cc1ccccc1)C(=O)O,DB02558,N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine
CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O,DB09292,Sacubitril
CCOC(=O)[C@H](CCc1ccccc1)CC1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1,DB05796,Daglutril
COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2,DB00616,Candoxatril
N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1,DB06472,Fradafiban
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,DB00775,Tirofiban
COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)NC1=O,DB04863,Lefradafiban
CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,DB04141,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol"
COC1=C(OC)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O,DB08690,Ubiquinone Q2
C[C@@]1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O,DB07778,(S)-famoxadone
CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1,DB07401,Azoxystrobin
CCCCCCCC1=C(O)c2ncsc2C(=O)C1=O,DB07636,"5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione"
CCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-],DB08453,2-Nonyl-4-quinolinol 1-oxide
CO/C=C(/C(=O)OC)c1ccccc1/C=C/c1ccccc1,DB08330,METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE
CCCCCCCCCCCC1=C(O)C(=O)c2scnc2C1=O,DB04799,"6-Hydroxy-5-undecyl-4,7-benzothiazoledione"
C[C@@]1(c2ccc(F)cc2F)OC(=O)N(Nc2ccccc2)C1=O,DB07763,"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE"
Cc1[nH]c(CC2=c3cc(S(=O)(=O)N(C)c4cccc(Cl)c4)ccc3=NC2=O)c(C)c1C,DB07369,"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide"
COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,DB08079,AMG-208
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,DB08865,Crizotinib
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1,DB06314,SGX-523
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,DB02152,K-252a
Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1,DB06995,N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O,DB06896,"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide"
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC,DB11800,Tivozanib
CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1,DB15133,Tepotinib
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,DB06997,"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide"
O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12,DB12200,Tivantinib
CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc(O)c4)c3n2)CC1,DB07969,3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F,DB11791,Capmatinib
NC(=O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1,DB08791,"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE"
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,DB01297,Practolol
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,DB01118,Amiodarone
Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,DB09068,Vortioxetine
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O,DB13345,Dihydroergocristine
CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,DB00726,Trimipramine
CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,DB06726,Bufuralol
CC(C)(C)NC[C@H](O)COc1cccc2c1CC(C#N)=N2,DB08347,4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,DB00243,Ranolazine
O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1,DB13781,Xamoterol
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,DB08893,Mirabegron
C/N=C(\NC)NCc1ccccc1,DB00217,Bethanidine
CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,DB11273,Dihydroergocornine
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,DB00715,Paroxetine
C[C@@H]([C@H](O)c1ccccc1)N(C)C,DB11278,DL-Methylephedrine
COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,DB00187,Esmolol
CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1,DB09351,Levobetaxolol
CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB08558,"2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL"
N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O,DB01962,Phosphonotyrosine
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB08834,Tauroursodeoxycholic acid
CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,DB06634,Casopitant
CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1,DB05478,Pradefovir mesylate
CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(=N)N)cc1)[C@H](C)O,DB04767,N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID
CCS(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(C(=N)N)cc1,DB04758,2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
N=C(N)c1ccc2[nH]c(-c3n[nH]c(-c4ccccc4)c3O)nc2c1,DB07207,2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
NC(=O)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1,DB07247,"[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA"
CCOc1cc(O[C@@H]2CCOC2)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1,DB04590,(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID
CC[C@@H](C)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)O)c1)C(=O)N[C@@H](CCC(=N)N)C(=O)NCc1ccc(C(=N)N)cc1,DB04593,3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID
CCCOc1ccc2[nH]cc(C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc3ccc(C(=N)N)cc3)c2c1,DB04606,2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE)
Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2n1,DB08232,"[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid"
CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1,DB08810,Cinitapride
CCN(CCCc1ccccc1)CCCc1ccccc1,DB01616,Alverine
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,DB00543,Amoxapine
FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1,DB06393,Xaliproden
CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,DB00714,Apomorphine
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,DB00490,Buspirone
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,DB00656,Trazodone
COc1ccc2[nH]cc(CCN(C)C)c2c1,DB14010,"5-methoxy-N,N-dimethyltryptamine"
COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O,DB01392,Yohimbine
C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,DB12540,Lecozotan
CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,DB00589,Lisuride
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,DB00216,Eletriptan
COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,DB04946,Iloperidone
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)[O-])c1,DB16629,Serdexmethylphenidate
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,DB01186,Pergolide
CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,DB01618,Molindone
O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,DB08815,Lurasidone
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,DB05271,Rotigotine
CCNC(C)Cc1cccc(C(F)(F)F)c1,DB00574,Fenfluramine
O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,DB00502,Haloperidol
Cc1ccc2c(c1)c1c3n2CCNC3CCC1,DB09244,Pirlindole
O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,DB04908,Flibanserin
CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O,DB09289,Tianeptine
COC(=O)C(c1ccccc1)C1CCCCN1,DB00422,Methylphenidate
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,DB00320,Dihydroergotamine
CCCN[C@H]1CCc2nc(N)sc2C1,DB00413,Pramipexole
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,DB00952,Naratriptan
O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1,DB06506,Repinotan
CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2,DB01614,Acepromazine
CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,DB01175,Escitalopram
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,DB04948,Lofexidine
Cl.c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2,DB05339,MN-305
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,DB00315,Zolmitriptan
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,DB06016,Cariprazine
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,DB04829,Lysergic acid diethylamide
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,DB01267,Paliperidone
N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,DB06684,Vilazodone
Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,DB06454,Sarizotan
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,DB01149,Nefazodone
CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1,DB04884,Dapoxetine
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,DB05562,Naluzotan
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,DB00904,Ondansetron
O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,DB04888,Bifeprunox
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,DB00696,Ergotamine
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,DB00734,Risperidone
Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,DB00935,Oxymetazoline
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,DB01200,Bromocriptine
O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1,DB08922,Perospirone
c1ccc(C(c2ccccc2)N2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1,DB06446,Dotarizine
CN1CCN2c3ccccc3Cc3ccccc3C2C1,DB06148,Mianserin
Clc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1,DB04970,Lesopitron
CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,DB12141,Gilteritinib
CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,DB00247,Methysergide
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,DB13025,Tiapride
CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,DB01621,Pipotiazine
CN1CCN(c2cccc3[nH]c(=O)oc23)CC1,DB12061,Pardoprunox
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,DB00669,Sumatriptan
CN1CCC2=C(C1)c1ccccc1Cc1ccccc12,DB09304,Setiptiline
NC(=O)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2,DB06538,Robalzotan
NC1=NCC2c3ccccc3Cc3ccccc3N12,DB00751,Epinastine
Cc1cccc(C)c1NC1=NCCCS1,DB11477,Xylazine
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,DB00433,Prochlorperazine
Clc1cccc(Cl)c1NC1=NCCN1,DB00575,Clonidine
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CC,DB09194,Etoperidone
C1COC(NC(C2CC2)C2CC2)=N1,DB11738,Rilmenidine
N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,DB01608,Periciazine
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,DB01624,Zuclopenthixol
c1ccc(C2CC2)c(OCC2=NCCN2)c1,DB09202,Cirazoline
C[C@H](N)[C@H](O)c1ccc(O)c(O)c1,DB06707,Levonordefrin
Cc1nc2c(C)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1,DB06229,Ocaperidone
NC(N)=NN=Cc1c(Cl)cccc1Cl,DB00629,Guanabenz
c1ccc2c(c1)CCCC2C1=NCCN1,DB06764,Tetryzoline
Clc1ccc2nsnc2c1NC1=NCCN1,DB00697,Tizanidine
CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1,DB06678,Esmirtazapine
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,DB09286,Pipamperone
Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,DB00800,Fenoldopam
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,DB00968,Methyldopa
N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,DB01018,Guanfacine
C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1,DB00865,Benzphetamine
Brc1c(NC2=NCCN2)ccc2nccnc12,DB00484,Brimonidine
c1ccc2c(CC3=NCCN3)cccc2c1,DB06711,Naphazoline
Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,DB06694,Xylometazoline
COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,DB00457,Prazosin
Cc1ccc(NCCCN)c([N+](=O)[O-])c1,DB05492,Epicept NP-1
COc1nc(C)nc(Cl)c1NC1=NCCN1,DB09242,Moxonidine
Cc1cccc([C@H](C)c2c[nH]cn2)c1C,DB00633,Dexmedetomidine
COc1cccc(C2(O)CCCCC2CN(C)C)c1,DB00193,Tramadol
FC(F)(F)c1cccc(N2CCN(CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1,DB09195,Lorpiprazole
Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,DB00964,Apraclonidine
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,DB06623,Flupirtine
CN1CCN2c3ncccc3Cc3ccccc3C2C1,DB00370,Mirtazapine
CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)[C@@H](C)CC,DB05434,ABT-510
O=C(O)[C@@H]1O[C@H](O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@H]1O,DB03935,"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid"
O=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O)O1,DB03981,"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid"
N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O,DB04972,Canfosfamide
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,DB01242,Clomipramine
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,DB11831,Dinitrochlorobenzene
N[C@@H](CCC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O,DB03686,S-(4-nitrobenzyl)glutathione
N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1c2ccccc2-c2ccccc2[C@H]1O)C(=O)NCC(=O)O)C(=O)O,DB01834,"(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene"
CCCCCCCCCSC[C@H](N)C(=O)O,DB07849,S-NONYL-CYSTEINE
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,DB02633,Cibacron Blue
CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(=O)OCC)c1ccccc1,DB05460,Ezatiostat
N[C@@H](CSCc1ccc(Br)cc1)C(=O)O,DB08370,S-(4-BROMOBENZYL)CYSTEINE
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,DB08489,"N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE"
CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O,DB08493,"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID"
COc1ccc(S(=O)(=O)N2CCc3cc(O)c(OC)cc3[C@@H]2C(=O)NO)cc1,DB08170,"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE"
CN(C)CCNC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)C2,DB13123,OTX-008
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,DB04396,Thiodigalactoside
O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1Cl,DB07312,"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE"
COc1cc(-c2cccc(N)c2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1,DB07270,"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE"
CCOc1cc2ncnc(Nc3cccc(-c4csc(CO)n4)c3)c2cc1OCC,DB02848,"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol"
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc(N)sc2C(=O)C(C)(C)C)o1,DB05053,MB-07803
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,DB00131,Adenosine phosphate
CCOC(=O)[C@H](C)NP(=O)(N[C@@H](C)C(=O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1,DB05518,Managlinat dialanetil
COc1cc(-c2ccc(OC)nc2)c2oc(NS(=O)(=O)c3cc(Cl)ccc3Cl)nc2c1,DB07321,"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE"
O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12,DB04175,Mdl-29951
Nc1ccc(S(=O)(=O)NC(=O)NCCS)cc1,DB08484,4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE
O=P(O)(O)OC[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,DB02778,"2,5-Anhydroglucitol-1,6-Biphosphate"
N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O,DB03314,5-fluorotryptophan
N[C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,DB02458,"S-(2,4-dinitrophenyl)glutathione"
N[C@@H](CCC(=O)N[C@@H](CS[C@H]1c2ccccc2-c2ccccc2[C@@H]1O)C(=O)NCC(=O)O)C(=O)O,DB04187,"(9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene"
O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2,DB07342,1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone
Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1,DB06914,"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE"
C=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)O)c4n1[Fe]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4c1ccccc1)C(CCC(=O)O)=C2C,DB03906,2-Phenylheme
C=Cc1c(C)c2n3c1C(c1ccccc1)=C1C(C)C(C=C)C4=Cc5c(C)c(CCC(=O)O)c6n5[Fe+2]3(N41)n1c(c(C)c(CCC(=O)O)c1=C6)=C2,DB02468,12-Phenylheme
C=Cc1c(C)c2n3c1C=C1C(C)=C(CCC(=O)O)C4=[N+]1[Fe]31n3c(c(C)c(C=C)c3O2)C=c2c(C)cc(n21)=C4,DB04803,Verdoheme
CCN(CC)c1cc(C)nc2ncnn12,DB09283,Trapidil
CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21,DB14840,Ripretinib
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,DB06595,Midostaurin
CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)CC(=O)NCCc1ccccn1,DB02140,N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide
COC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,DB08526,CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE
O=S(=O)(O)CCNC(CO)(CO)CO,DB02371,"2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid"
NC(=O)c1ccc[n+]([C@@H]2C[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB02498,Carba-nicotinamide-adenine-dinucleotide
Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)nc12,DB03072,"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone"
Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1,DB11760,Talazoparib
Cc1nc2c(O)cccc2c(=O)[nH]1,DB02690,NU1025
Nc1ccc2c3c(cccc13)C(=O)NC2=O,DB07096,"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE"
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1,DB09074,Olaparib
O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2cccc(F)c12,DB07787,"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE"
C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,DB07232,Veliparib
NC(=O)c1ccc(I)c([N+](=O)[O-])c1,DB13877,Iniparib
NC(=O)c1cccc2ncc(-c3ccc(Cl)cc3)nc12,DB03509,2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
COc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1,DB04010,2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,DB12332,Rucaparib
NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,DB11793,Niraparib
CCCN1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1,DB07330,A-620223
Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DB01073,Fludarabine
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,DB00631,Clofarabine
CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1,DB04725,Licofelone
CCN(CC)C(=O)N1CCN(C)CC1,DB00711,Diethylcarbamazine
NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COc2ccc(F)cc2)O1,DB05431,MLN-977
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,DB00471,Montelukast
CC(c1cc2ccccc2s1)N(O)C(N)=O,DB00744,Zileuton
O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1,DB09285,Morniflumate
O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O,DB13174,Rhein
O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,DB01014,Balsalazide
CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO,DB11781,Tosedostat
C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)O,DB08040,Kelatorphan
c1ccc(NCc2cccnc2)cc1,DB06851,N-(pyridin-3-ylmethyl)aniline
NCC(=O)Nc1ccc(OCc2ccccc2)cc1,DB07099,N-[4-(benzyloxy)phenyl]glycinamide
NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1,DB07104,4-amino-N-[4-(benzyloxy)phenyl]butanamide
Nc1nc(-c2ccc(O)cc2)cs1,DB07292,"4-(2-amino-1,3-thiazol-4-yl)phenol"
c1ccc(CNc2ccc(OC[C@H]3CCCN3)cc2)cc1,DB07260,N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
NCc1ccc(-c2cccs2)cc1,DB07259,1-(4-thiophen-2-ylphenyl)methanamine
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)O,DB03424,Ubenimex
Nc1ncccc1OCc1ccccc1,DB02352,3-(Benzyloxy)Pyridin-2-Amine
O=C(c1ccc(OC[C@H]2CCCN2)cc1)c1ccc(-c2ccsc2)cc1,DB07237,{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
CNCc1ccccc1-c1cccs1,DB07196,N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
Oc1ccc(CCc2cc(O)cc(O)c2)cc1,DB08466,"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol"
N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)O,DB07102,(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
O[C@@H](c1ccncc1)c1ccc(OCCN2CCCC2)cc1,DB07258,(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
O=C(c1ccncc1)c1ccc(F)cc1,DB06917,(4-fluorophenyl)(pyridin-4-yl)methanone
c1ccn(CCOc2ccc3[nH]ccc3c2)c1,DB06828,5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O,DB05511,Piclidenoson
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB00640,Adenosine
Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,DB01223,Aminophylline
CCCn1c(=O)[nH]c(=O)c2[nH]cnc21,DB00824,Enprofylline
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,DB00527,Cinchocaine
CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2,DB08039,"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE"
CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1,DB04825,Prenylamine
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,DB01100,Pimozide
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,DB00623,Fluphenazine
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,DB04841,Flunarizine
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CCN4CC=C[C@@](CC)(C[C@@]36OC(=O)N(CCCl)C6=O)[C@H]45)C2)C1,DB02868,Deacetoxyvinzolidine
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,DB00836,Loperamide
CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,DB00831,Trifluoperazine
C[N+](C)(C)CCCC[C@H](N)C(=O)O,DB03977,Trimethyllysine
CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2],DB13800,Calcium levulinate
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12,DB04513,N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,DB04209,Dequalinium
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,DB00850,Perphenazine
CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1,DB01429,Aprindine
OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,DB14109,alpha-Arbutin
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,DB00491,Miglitol
C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,DB14639,Boldenone undecylenate
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(CCOCc3cc(F)cc(F)c3)[C@@H](O)CC[C@@H]12,DB07717,"(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE"
C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB07454,(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,DB01128,Bicalutamide
CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,DB08899,Enzalutamide
C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,DB07419,S-23
C[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12,DB01564,Calusterone
C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB07769,S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB13946,Testosterone undecanoate
COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC,DB06133,Dimethylcurcumin
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O,DB01541,Boldenone
CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,DB01063,Acetophenazine
O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,DB08089,LGD-2226
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,DB02932,(R)-Bicalutamide
CC(=O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,DB15647,Ketodarolutamide
C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB01481,1-Testosterone
CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,DB11901,Apalutamide
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01420,Testosterone propionate
Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,DB08088,"2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile"
O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,DB02266,Flufenamic acid
O=C(O)CCC/C=C\C[C@H]1[C@H](SC[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O,DB11425,Luprostiol
CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB12499,Clascoterone
C[C@](O)(COc1ccc([N+](=O)[O-])cc1)[C@@H](O)Nc1ccc(C#N)c(C(F)(F)F)c1,DB07421,"4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile"
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21,DB11429,Mibolerone
N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F,DB13934,Ligandrol
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DB00621,Oxandrolone
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,DB15488,Echinacoside
C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,DB07422,(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,DB00984,Nandrolone phenpropionate
c1ccc2c(c1)Nc1ccccc1S2,DB11447,Phenothiazine
C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,DB05234,LGD2941
Cc1ccc(C)c(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1,DB08035,"1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE"
C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DB06412,Oxymetholone
CC(C)(C)n1nc(Cc2cccc(O)c2)c2c(N)ncnc21,DB08461,"3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL"
O=C1[C@@H]2[C@H]3CC[C@H](CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,DB04709,"(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE"
CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1,DB07423,Andarine
N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)c2ccccc12,DB08087,"4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE"
C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(I)c1,DB07039,(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,DB06870,Tetrahydrogestrinone
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,DB13155,Esculin
C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,DB06718,Stanozolol
Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl,DB07286,BMS-564929
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,DB00665,Nilutamide
C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)CC1=O,DB00858,Drostanolone
COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C,DB00459,Acitretin
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21,DB04942,Tamibarotene
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,DB00982,Isotretinoin
CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C,DB00926,Etretinate
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,DB00523,Alitretinoin
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,DB00799,Tazarotene
CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1,DB12808,Trifarotene
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1,DB12340,Navitoclax
C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@@H](O[C@H]7CC[C@H](CC(=O)C[C@@H]8[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@H]8C[C@H]8O[C@@H](CC[C@@H]1O2)C[C@@H](C)C8=C)O[C@@H]7[C@@H]6O3)[C@H]5O4,DB08871,Eribulin
COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C,DB12191,Obatoclax
CCCC(=O)OCOC(=O)C(C)(C)C,DB05103,AN-9
C#CCN[C@@H]1CCc2ccccc21,DB01367,Rasagiline
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB06307,Apoptone
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,DB11581,Venetoclax
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2,DB08607,"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE"
[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,DB14914,Flortaucipir F-18
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1,DB00448,Lansoprazole
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,DB02527,Cyclic adenosine monophosphate
Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(S)O[C@H]2[C@H]1O,DB01790,(Rp)-cAMPS
c1ccc([C@H]2CN3CCSC3=N2)cc1,DB00848,Levamisole
O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12,DB05913,OSI-930
Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,DB15233,Avapritinib
C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C,DB02877,Arotinoid acid
CC(C)c1cc(Oc2c(Cl)cc(CC(=O)O)cc2Cl)ccc1O,DB03176,KB-141
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,DB00279,Liothyronine
CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O,DB05035,Eprotirome
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,DB03181,"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione"
Oc1ccc(Oc2c(Br)cc(CC(O)O)cc2Br)cc1C(O)NCCc1ccccc1,DB02106,"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid"
C=CC(=O)c1ccc(CCCCCC)cc1,DB08085,1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE
Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(Cc2ccccc2)c1,DB03788,GC-24
Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1,DB07425,Sobetirome
O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,DB03604,Tiratricol
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@@H](CO)C2,DB07747,"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"
NC[C@H](O)c1cccc(C(F)(F)F)c1,DB08129,(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
NS(=O)(=O)c1ccc2c(c1)CNCC2,DB03468,"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide"
Clc1ccc2c(c1Cl)CNCCC2,DB04273,"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine"
N[C@@H]1[C@@H]2CC[C@H]1c1cccc(C(F)(F)F)c12,DB08128,"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine"
O=[N+]([O-])c1ccc2c(c1)CN[C@@H](CO)C2,DB07906,"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL"
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNCC2,DB08631,"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"
O=S(=O)(NCCC(F)(F)F)c1ccc2c(c1)CN[C@@H](CF)C2,DB07798,"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE"
O=S(=O)(c1ccc2c(c1)CN[C@@H](CF)C2)N1CCSCC1,DB07739,"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE"
Nc1ncnc2c1nc(NCc1ccc(Cl)c(Cl)c1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB07045,"(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol"
O=c1cc(O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB02890,6-hydroxyuridine-5'-phosphate
O=C1N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)N1O,DB02447,"3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione"
Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cccc1OCCCCC(=O)O,DB04645,"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID"
OC[C@H]1O[C@@]2(C[C@@H](c3ccc4ccccc4c3)NO2)[C@H](O)[C@@H](O)[C@@H]1O,DB08500,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol"
O=C(N[C@@H]1Cc2ccccc2[C@H]1O)c1cc2cc(Cl)sc2[nH]1,DB06986,"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"
Cc1ncc(COP(=O)(O)O)c(/C=N/CCCC[C@H](N)C(=O)O)c1O,DB04083,N(6)-(pyridoxal phosphate)-L-lysine
NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DB01843,"(5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione"
Cc1ccc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[nH]c2c1,DB03133,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole"
O=C(O)CO/N=C1\C2=CC=CCC2=N\C1=C1/C(=O)N=C2CC=CC=C21,DB07949,"({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid"
CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DB03835,"N-[(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide"
O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc2cc(Cl)sc2[nH]1,DB07066,"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1,DB03383,CP-320626
O=C(O)C[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)O,DB08322,"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID"
NC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB02720,alpha-D-glucopyranosyl-2-carboxylic acid amide
O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB02843,alpha-D-glucose-1-phosphate
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,DB04566,Inosinic Acid
CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB03218,N-acetyl-N'-beta-D-glucopyranosyl urea
NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB02719,C-(1-hydrogyl-beta-D-glucopyranosyl) formamide
C[C@]1(OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB04195,Heptulose-2-Phosphate
OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O,DB07807,"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL"
[N-]=[N+]=N[C@]1(C(N)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB03286,C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide
O=C(O)CCCOc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1,DB04643,"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID"
O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1,DB04044,4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid
Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)ccc(OCCCC(=O)O)c1C,DB04644,"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID"
O=C(CN1C(=O)[C@@H](NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NCCO,DB07792,"(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nnnn21,DB02471,Nojirimycine Tetrazole
O=C1NC(=S)N[C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,DB02964,"8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one"
CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DB03479,"8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione"
NC(=O)CN1C(=O)[C@@H](NC(=O)C2=CC3=C[C@H](Cl)SC3=N2)Cc2ccccc21,DB07793,"(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE"
O=P(O)(O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,DB02604,2-Deoxy-Glucose-6-Phosphate
CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB02320,N-beta-D-glucopyranosylacetamide
COP(=O)(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC,DB03392,"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester"
Cc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1,DB03354,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole"
O=C(Nc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1,DB03067,"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid"
OC[C@H]1O[C@@]2(CC(c3ccccc3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O,DB08151,"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol"
O=C1NC(=O)[C@]2(N1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O,DB01823,Beta-D-Glucopyranose Spirohydantoin
CC[n+]1c(C)c(C(=O)OC(C)C)c(-c2ccccc2Cl)c(C(=O)O)c1C(=O)O,DB04055,"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium"
O=C1Nc2ccc(S(=O)(=O)O)cc2/C1=C1/Nc2ccccc2C1=O,DB02519,Indirubin-5-sulphonate
COC(=O)N[C@]1(C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB04013,1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB03657,1-deoxy-1-methoxycarbamido-beta-D-glucopyranose
Cc1ccc([C@@H]2C[C@]3(ON2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1,DB08503,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol"
O=C(O)CCCCCCOc1c(Cl)cc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl,DB04642,"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID"
CC(=O)N[C@]1(C(N)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB04544,1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide
Cc1ccc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nc2c1,DB03250,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole"
O=C(NC(=O)c1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB04295,N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,DB01979,Methyl alpha-D-mannoside
O=S(=O)(O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO,DB02837,4-(Hydrogen sulfate)-beta-D-galactopyranose
CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O,DB04426,Alpha-Methyl-N-Acetyl-D-Glucosamine
O=S(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]1O,DB01818,O3-Sulfonylgalactose
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O,DB03721,N-acetyl-alpha-neuraminic acid
Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,DB00805,Minaprine
CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,DB00354,Buclizine
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,DB00782,Propantheline
CC[C@@H]1SC2(CCN(C)CC2)NC1=O,DB05152,NGX267
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,DB00979,Cyclopentolate
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,DB01233,Metoclopramide
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,DB00810,Biperiden
CC1O[C@@]2(CS1)CN1CCC2CC1,DB00185,Cevimeline
CN(C)CCCN1c2ccccc2Sc2ccccc21,DB00420,Promazine
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,DB04843,Mepenzolate
CN1CCCN=C1/C=C/c1cccs1,DB11156,Pyrantel
Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2,DB05766,Norclozapine
CN(C)CCOC(C)(c1ccccc1)c1ccccn1,DB00366,Doxylamine
CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,DB00777,Propiomazine
CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,DB00340,Metixene
CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1,DB11855,Revefenacin
C[N@+]12CC[C@H](CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,DB00771,Clidinium
OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1,DB00942,Cycrimine
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,DB00670,Pirenzepine
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1,DB00209,Trospium
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,DB00875,Flupentixol
CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2,DB00245,Benzatropine
C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,DB00568,Cinnarizine
CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,DB00219,Oxyphenonium
Cc1cc(C2=NC(=O)N=C(c3ccccc3)C2)ccc1O,DB07151,4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12,DB02656,LY-294002
Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1,DB08707,"4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine"
c1ccc(Nc2c[nH]c3ncccc23)cc1,DB07524,"N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine"
Cn1c(=O)c(O)c(O)c2ccccc21,DB01754,"3,4-Dihydroxy-1-Methylquinolin-2(1h)-One"
CC(=O)c1cccc(-c2cnc3ccc(NCC4CC4)nn23)c1,DB04715,IMIDAZOPYRIDAZIN 1
Cn1c2c(c3ccc(Cl)cc31)[C@@H](C#N)C1(CCNCC1)NC2=O,DB08166,"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile"
N#C[C@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1,DB08022,"(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile"
O=C1Nc2ccccc2/C1=N/c1ccc(O)cc1,DB03650,(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12,DB08709,"2,3-diphenyl-1H-indole-7-carboxylic acid"
FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)nn23)c1,DB08708,"N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine"
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,DB08230,Tricetin
N#Cc1c(-c2ccccc2)cc(-c2cc(Br)ccc2O)[nH]c1=O,DB08705,"6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE"
CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB03415,3-thiaoctanoyl-CoA
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB02910,Octanoyl-Coenzyme A
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1,DB11886,Infigratinib
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)O,DB08577,3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
COc1cccc(Cc2c[nH]c3ncccc23)c1,DB07525,"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine"
C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,DB15149,Futibatinib
O=CN1CCN(c2ccc(CC3C(=O)Nc4ccccc43)cc2)CC1,DB02058,3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21,DB15102,Pemigatinib
COc1cccc(C(=O)c2c[nH]c3nccc(-c4cc(F)cc(F)c4)c23)c1,DB07840,"(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol"
CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O,DB05129,Elsamitrucin
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)C,DB05806,Cositecan
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,DB01030,Topotecan
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,DB00997,Doxorubicin
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,DB05482,7-ethyl-10-hydroxycamptothecin
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1,DB06159,Rubitecan
COc1cc2c[nH+]c3c(c2cc1OC)Cc1cc2c(cc1-3)OCO2,DB07354,"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM"
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,DB00762,Irinotecan
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1,DB04690,Camptothecin
O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO,DB04882,Edotecarin
O=C(O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2,DB08159,"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE"
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,DB04967,Lucanthone
CCCCCCc1ccc(O)cc1O,DB11254,Hexylresorcinol
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12,DB05107,16-Bromoepiandrosterone
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C,DB00910,Paricalcitol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)OCCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB03451,Lexacalcitol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB02300,Calcipotriol
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12,DB00169,Cholecalciferol
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12,DB00146,Calcifediol
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@]12C,DB01070,Dihydrotachysterol
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB04540,Cholesterol
CC1(C)[C@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)CC[C@]1(C)CCC#CC(O)(C(F)(F)F)C(F)(F)F,DB07530,"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol"
C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1F,DB06194,Elocalcitol
C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12,DB00153,Ergocalciferol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O,DB05295,Eldecalcitol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H](C#CC#CC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB08742,"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)"
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C,DB04796,Inecalcitol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB00136,Calcitriol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB06410,Doxercalciferol
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C=C/C(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,DB04258,Seocalcitol
C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)C[C@H]1O,DB04891,Becocalcidiol
Cc1ccc(-n2cc(CNCC3CCCCC3)c3ccccc32)cc1,DB06833,1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE
CNCc1ccc(-c2cccnc2)o1,DB07617,N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
NCc1ccc(-c2cccnc2)o1,DB07621,(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
c1cc(SSc2ccncc2)ccn1,DB07623,"4,4'-DIPYRIDYL DISULFIDE"
CN(C)Cc1ccc(-c2cccnc2)o1,DB07609,"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE"
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,DB16236,Mitapivat
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,DB01217,Anastrozole
N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,DB01006,Letrozole
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12,DB00894,Testolactone
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,DB00990,Exemestane
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2,DB04322,LY249543
Nc1nc(=O)c(N)c(NC(=O)Nc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)[nH]1,DB02358,LY374571
Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,DB00116,Tetrahydrofolic acid
CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC,DB06281,Torcetrapib
CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,DB12319,Benzbromarone
CC1=C(CCC(=O)O)C2=[N+]3C1=Cc1c(C)c(C(C)S)c4n1[Fe-2]31n3c(c(C)c(CCC(=O)O)c3=C2)=CC2=[N+]1C(=C4)C(C)=C2C(C)S,DB03317,Ferroheme C
N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)C(=O)O,DB04153,S-Hydroxymethyl Glutathione
O=C(O)CCCCCCCCCCCO,DB03704,12-Hydroxydodecanoic Acid
CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1,DB15442,Trilaciclib
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1,DB11730,Ribociclib
CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1,DB12001,Abemaciclib
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,DB09073,Palbociclib
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1,DB02733,Purvalanol
Cc1ncc(COP(=O)(O)O)c(CNCC(=O)O)c1O,DB02824,N-Pyridoxyl-Glycine-5-Monophosphate
CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,DB04263,Geneticin
Cc1ncc(COP(=O)(O)O)c(CO)c1O,DB02209,Pyridoxine phosphate
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,DB01024,Mycophenolic acid
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)[nH+]cnc32)[C@H](O)[C@@H]1O,DB03948,"6-Chloropurine Riboside, 5'-Monophosphate"
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,DB00688,Mycophenolate mofetil
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,DB00811,Ribavirin
NC(=O)c1c[se]c([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)n1,DB03070,Selenazole-4-carboxyamide-adenine dinucleotide
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,DB00691,Moexipril
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O,DB08836,Temocapril
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,DB00519,Trandolapril
O=C(O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,DB15565,Cilazaprilat
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,DB00178,Ramipril
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,DB00542,Benazepril
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,DB01348,Spirapril
C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,DB13166,Zofenopril
C[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O,DB02032,Epicaptopril
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,DB01340,Cilazapril
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,DB09477,Enalaprilat
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,DB00790,Perindopril
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,DB01180,Rescinnamine
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,DB00881,Quinapril
CCC(=O)O[C@@H](OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C,DB00492,Fosinopril
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,DB00584,Enalapril
CC(=O)N[C@@H](Cc1ccc(P(=O)(O)O)c(P(=O)(O)O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB02336,RU83876
N#Cc1ccc2cccc(OP(=O)(O)O)c2n1,DB02762,RU79072
CC(=O)N[C@@H](Cc1ccc(CC(=O)O)c(C(=O)O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB03712,RU85053
CC(=O)N[C@@H](Cc1ccc(C(=O)O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB03268,RU82197
Cc1cc(C=O)c(OP(=O)(O)O)c(C=O)c1,DB03828,RU78299
C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1,DB08462,N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(N)c2)n1,DB06882,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
O=P(O)(O)Oc1cccc2c1NCCC2,DB03525,RU79073
COC(=O)c1cc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(-c4ccccc4)cc3)C2=O)ccc1C(F)(C(=O)O)C(=O)O,DB02432,RU90395
N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1,DB07966,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
COc1ccc(-c2nn(C3CCC3)c3ncnc(N)c23)cc1OC,DB08053,"1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
O=P(O)(O)[C@H](O)c1cccc2ccccc12,DB03217,DPI59
CC(=O)N/C(=C\c1ccc(CC(=O)O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB03104,2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid
O=C(O)C(C(=O)O)c1ccccc1,DB04080,RU78191
CC(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21,DB08054,"1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,DB08052,PP-121
CC(C)c1sc([C@@H]2Cc3ccccc3CN2)nc1C(=O)O,DB08192,2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE
CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(N)c2)n1,DB06883,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea
CN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1,DB04739,4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB01678,RU84687
CN(C)C/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,DB08564,(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide
CC(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21,DB07335,"3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL"
O=Cc1ccccc1O[P@@](=O)(O)OCC1CCCCC1,DB03114,PAS219
CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB04495,Paratoulene phosphate
O=Cc1ccccc1OP(=O)(O)O,DB01947,RU78262
O=C(O)[C@@H](c1ccccc1)S(=O)(=O)O,DB01866,RU79256
CC(=O)N[C@@H](Cc1ccc(OCC(=O)O)c(P(=O)(O)O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB01908,RU85493
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1,DB04751,Purvalanol A
CC(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O,DB03591,RU82209
O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,DB01893,N6-Benzyl Adenosine-5'-Diphosphate
O=P(O)(O)C(c1ccccc1)P(=O)(O)O,DB02908,RU78783
COc1cccc(C=O)c1OP(=O)(O)O,DB03306,RU78300
CCc1ccc(NC(=O)P(=O)(O)O)cc1,DB03628,ISO24
O=Cc1ccccc1O[P@@](=O)(O)OCc1ccccc1,DB03078,PASBN
Cc1cccc2c1ccn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,DB07116,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE
O=C(O)c1ccc(/C=N/OCCO/N=C/c2cc(=O)[nH]c(=O)[nH]2)cc1,DB06990,"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID"
O=C(O)c1cccc(/C=N/OCCO/N=C/c2cc(=O)[nH]c(=O)[nH]2)c1,DB07760,"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid"
N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O,DB01055,Mimosine
O=C([O-])C1=C[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](O)O[C@@H]2COS(=O)(=O)[O-])O1,DB02322,Heparin Disaccharide I-S
O=C([O-])C1=C[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)[O-])[C@@H](O)O[C@@H]2CO)O1,DB02353,Heparin Disaccharide Iii-S
Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1,DB09280,Lumacaftor
Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C,DB15444,Elexacaftor
CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO,DB11712,Tezacaftor
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,DB00887,Bumetanide
CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O,DB08820,Ivacaftor
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,DB06266,Lonidamine
N#Cc1cccc(S(=O)(=O)N2C[C@H](NC3CCC3)C[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)O)c1,DB15791,MK-0668
CC1(C)CCC(C)(C)c2cc([C@@H](O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,DB03466,BMS184394
CC1(C)CCC(C)(C)c2cc([C@@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21,DB07031,"3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid"
CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB03279,Dodecyl-Alpha-D-Maltoside
CC1(C)CCC(C)(C)c2cc(/C(=N\O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,DB02258,SR11254
CC1(C)CCC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)cc3)ccc21,DB02466,BMS-181156
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21,DB02741,CD564
CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21,DB05467,Palovarotene
CC1(C)CCC(C)(C)c2cc([C@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21,DB07294,"3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid"
C[N+](C)(C)[C@@H](CCc1nc(C[C@H](N)C(=O)O)c[nH]1)C(N)=O,DB03223,Diphthamide
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1,DB08348,"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE"
CN[C@]1(c2ccccc2Cl)CCCCC1=O,DB11823,Esketamine
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O,DB02272,Porphobilinogen
O=C(O)CCCCCC(=O)CCC(=O)O,DB02260,4-Oxosebacic Acid
O=C(O)CCC(=O)CCC(=O)CCC(=O)O,DB04560,"4,7-Dioxosebacic Acid"
NCC[C@H](CC(=O)O)[C@@H](CN)CCC(=O)O,DB02878,3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid
CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,DB12713,Sotagliflozin
O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21,DB14895,Vibegron
O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1,DB06190,Solabegron
CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2,DB05395,Amibegron
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB01536,Androstenedione
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@@H]2O,DB02323,EM-1745
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB01561,Androstanedione
COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1,DB07888,"3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER"
O=C(O/N=C/c1ccc(O)c(F)c1)C1CCCCC1,DB08334,3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
CCOC(=O)c1cc2ccc(O)cc2oc1=O,DB02728,7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester
O=C(O)/C=C/c1ccc(O)c(O)c1,DB01880,"3,4-Dihydroxycinnamic Acid"
CC(C)(C)CC(=O)O/N=C/c1ccc(O)cc1,DB08335,"4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME"
O=C(O/N=C/c1ccc(O)cc1)C1CCCCC1,DB08333,4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,DB00158,Folic acid
COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1,DB12307,Foretinib
NCCCC(O)(P(=O)(O)O)P(=O)(O)O,DB00630,Alendronic acid
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O,DB00884,Risedronic acid
O=P(O)(O)C(NC1CCCCCC1)P(=O)(O)O,DB06255,Incadronic acid
CC(C)=CCO[P@@](=O)(O)OP(=O)(O)O,DB01785,Dimethylallyl Diphosphate
CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,DB02508,Isopentyl Pyrophosphate
O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,DB00450,Droperidol
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,DB09225,Zotepine
COc1ccc(C(=O)N2CCCC2=O)cc1,DB04599,Aniracetam
CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,DB09223,Blonanserin
CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,DB01623,Thiothixene
CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,DB01622,Thioproperazine
O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,DB06144,Sertindole
CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,DB06477,Sumanirole
CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,DB00409,Remoxipride
C=CCN1CCCC1CNC(=O)c1cc2n[nH]nc2cc1OC,DB01425,Alizapride
CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21,DB00933,Mesoridazine
c1ccc(C2(N3CCCC3)CCCCC2)cc1,DB01549,Rolicyclidine
CCCN(CCC)CCc1cccc2c1CC(=O)N2,DB00268,Ropinirole
Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)nn3)CC2)cc1F,DB12579,JNJ-37822681
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2,DB12093,Tetrahydropalmatine
CO/N=C/[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,DB04857,Brasofensine
CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,DB01038,Carphenazine
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,DB04844,Tetrabenazine
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,DB09018,Bromopride
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,DB00679,Thioridazine
CC12CC3CC(C)(C1)CC(N)(C3)C2,DB01043,Memantine
CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,DB09224,Melperone
CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,DB00372,Thiethylperazine
CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,DB06077,Lumateperone
CCN1CCN(C)C[C@@H](NC(=O)c2cc(Br)c(NC)cc2OC)C1,DB09207,AS-8112
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,DB11274,Dihydro-alpha-ergocryptine
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,DB06288,Amisulpride
Cc1ccc(C23CNCC2C3)cc1,DB04889,Bicifadine
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,DB01235,Levodopa
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,DB04842,Fluspirilene
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,DB04924,Itopride
Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl,DB05964,Amitifadine
c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,DB12478,Piribedil
CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21,DB09097,Quinagolide
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,DB01184,Domperidone
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC,DB12518,Raclopride
COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccccc1,DB03121,(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
Cc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1,DB02504,[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,DB00328,Indomethacin
O=C(O)CC[C@@H](CCc1ccccc1)NC(=O)CCCCCCc1ccccc1,DB03471,6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid
CCCCCCCC/C=C/CCCCCCCC(N)=O,DB03784,Elaidamide
O=C(O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,DB04287,KH064
Cc1c(CC(N)=O)c2cc(OCCCC(=O)O)ccc2n1Cc1ccccc1,DB02936,4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCSC)NC(C)=O,DB04112,(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate
COCCOCCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1,DB02080,"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene"
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1,DB07692,"1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine"
OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,DB11263,Polydatin
CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,DB08951,Indoprofen
Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C,DB07628,"6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one"
COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1,DB07697,"1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine"
CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O,DB03719,N-Ethyl-5'-Carboxamido Adenosine
Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](CO)O1,DB02103,2-Chlorodideoxyadenosine
O=C(O)CCCCCCCC(=O)O,DB00548,Azelaic acid
OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,DB11217,Arbutin
Oc1ccc(OCc2ccccc2)cc1,DB00600,Monobenzone
COc1ccc(S(=O)(=O)[C@H](CC(=O)O)C(F)F)cc1,DB07285,"(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID"
N[C@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)C(F)(F)F,DB07246,"(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE"
CC(C)C[C@H](CN(O)C=O)C(=O)O,DB03683,2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O)cc2)cc1,DB05495,PG-530742
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(c3ncccn3)CC2)C(=O)N1,DB07117,"5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE"
C#CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,DB13335,Pinazepam
O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,DB00628,Clorazepic acid
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,DB00231,Temazepam
CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,DB01198,Zopiclone
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,DB01588,Prazepam
C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O,DB01154,Thiamylal
CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,DB00349,Clobazam
CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,DB01544,Flunitrazepam
O=C(O)CCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O,DB14715,Cinazepam
CCOC(=O)c1cncn1[C@H](C)c1ccccc1,DB00292,Etomidate
CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1,DB01587,Ketazolam
CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O,DB01489,Camazepam
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,DB00829,Diazepam
CCOC(=O)C1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O,DB01545,Ethyl loflazepate
CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12,DB06579,Adipiplon
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,DB01595,Nitrazepam
CCC1(CC)C(=O)NCC(C)C1=O,DB01107,Methyprylon
C=CCC1(C(C)C)C(=O)NC(=O)NC1=O,DB01352,Aprobarbital
CCCC(C)(COC(N)=O)COC(N)=O,DB00371,Meprobamate
CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl,DB01559,Clotiazepam
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,DB00897,Triazolam
CCC1(c2ccccc2)CCC(=O)NC1=O,DB01437,Glutethimide
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,DB00418,Secobarbital
CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,DB13437,Medazepam
N=C(O)CCCN=C(c1ccc(Cl)cc1)c1cc(F)ccc1O,DB00837,Progabide
CCC1(C2=CCCCCC2)C(=O)NC(=O)NC1=O,DB01354,Heptabarbital
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,DB00241,Butalbital
O=C1NC(=S)NC(=O)C1Cc1ccc(-c2ccccc2C(F)(F)F)o1,DB01496,"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione"
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,DB00546,Adinazolam
CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3N=C(O)CN12,DB15489,Mexazolam
O=C1CN2CCOC2(c2ccccc2Cl)c2cc(Cl)ccc2N1,DB01553,Cloxazolam
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,DB00186,Lorazepam
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB11859,Brexanolone
Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,DB09017,Brotizolam
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,DB00842,Oxazepam
CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,DB01205,Flumazenil
CCC1(c2ccccc2)C(=O)NCNC1=O,DB00794,Primidone
N#CCCN1C(=O)C(O)N=C(c2ccccc2F)c2cc(Cl)ccc21,DB01594,Cinolazepam
CC(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,DB14672,Oxazepam acetate
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F,DB00801,Halazepam
CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,DB00690,Flurazepam
CN1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1,DB13643,Loprazolam
O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1,DB01511,Delorazepam
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,DB00306,Talbutal
CCC(C)C1(CC)C(=O)NC(=O)NC1=O,DB00237,Butabarbital
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C,DB05087,Ganaxolone
CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl,DB09166,Etizolam
CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,DB00402,Eszopiclone
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,DB01351,Amobarbital
CCC1(CC)C(=O)NC(=O)N(C)C1=O,DB00463,Metharbital
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,DB00395,Carisoprodol
CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,DB00475,Chlordiazepoxide
O=C1C(O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO,DB13837,Doxefazepam
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2,DB01215,Estazolam
CC(C)c1cccc(C(C)C)c1O,DB00818,Propofol
CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O,DB01355,Hexobarbital
CCC1(CC)C(=O)NC(=O)NC1=O,DB01483,Barbital
CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21,DB13872,Lormetazepam
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,DB00962,Zaleplon
O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,DB01558,Bromazepam
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,DB00425,Zolpidem
O=C1CN=C(c2ccccc2)c2c(sc3c2CCCC3)N1,DB14719,Bentazepam
COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21,DB12404,Remimazolam
C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,DB00474,Methohexital
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,DB00404,Alprazolam
COc1c(O)c(OC)c2oc(-c3ccccc3O)cc(=O)c2c1O,DB13983,"5,7,2′-trihydroxy-6,8-dimethoxyflavone"
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1,DB14028,Nordazepam
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,DB01346,Quinidine barbiturate
Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21,DB01589,Quazepam
CCCCC1(CC)C(=O)NC(=O)NC1=O,DB01353,Butobarbital
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O,DB03225,D-Tryptophan
N=C(Cc1ccc(O)c(O)c1)C(=O)O,DB07979,"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID"
N=C(Cc1c[nH]c2ccccc12)C(=O)O,DB02988,Imino-Tryptophan
Cc1cc2c(cc1C)N(C(=O)C(C)C)c1c([O-])nc(=O)[nH]c1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H]([N+]2=CN=C3C(=N)N=CN=C32)[C@H](O)[C@@H]1O,DB03531,Flavin-adenine dinucleotide-N5-isobutyl ketone
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,DB05984,RAF-265
CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F,DB07000,"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide"
O/N=C1\CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21,DB08553,"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime"
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,DB08881,Vemurafenib
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F,DB06999,PLX-4720
O=C(O)[C@H](Cc1ccccc1)CC(O)(O)C[N+](=O)[O-],DB07484,"(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid"
NS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O,DB03012,Phenylalanine-N-Sulfonamide
O=C(NO)N[C@H](Cc1ccccc1)C(=O)O,DB04316,D-[(N-Hydroxyamino)Carbonyl]Phenylalanine
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O,DB08762,O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
O=C(O)C[C@@H](Cc1ccccc1)C(=O)O,DB07506,L-BENZYLSUCCINIC ACID
O=C(O)[C@H](CI)Cc1ccccc1,DB03441,2-Benzyl-3-Iodopropanoic Acid
C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O,DB07351,O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE
NC(=O)N[C@@H](Cc1ccccc1)C(=O)O,DB04058,N-Carbamoylphenylalanine
O=C(O)[C@H](Cc1ccccc1)C[N+](=O)[O-],DB06924,(2R)-2-benzyl-3-nitropropanoic acid
O=C(NO)N[C@@H](Cc1ccccc1)C(=O)O,DB02652,L-[(N-Hydroxyamino)Carbonyl]Phenylalanine
C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,DB08368,"OCTANE-1,3,5,7-TETRACARBOXYLIC ACID"
CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1,DB06921,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
NC(N)=Nc1cccc([C@@H](CS)C(=O)O)c1,DB04723,2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID
CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1,DB07269,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1,DB06835,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@H](C(=O)O)c1cccc(CN)c1,DB07157,"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE"
CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)P(=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1,DB07136,BX-528
NC(N)=Nc1cccc(C(CP(=O)(O)CCCc2ccccc2)C(=O)O)c1,DB07182,(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
NC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1,DB02101,"(S,R)-fidarestat"
O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12,DB07450,(R)-minalrestat
O=C(O)CN1C(=O)c2cccc3cccc(c23)C1=O,DB02020,Alrestatin
O=C(O)COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1,DB02834,IDD552
O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12,DB05327,Ranirestat
O=C(O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F,DB08084,IDD594
O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,DB07063,Lidorestat
O=C(O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)s1,DB07139,3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12,DB07187,CP-744809
O=C(O)CN1C(=O)c2c(c(C(=O)O)cc3ccccc23)S1(=O)=O,DB08000,"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE"
O=C(O)COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1,DB07030,(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID
Cc1ccccc1CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1,DB01689,Inhibitor Idd 384
O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2cscc12,DB16707,Gavorestat
O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F,DB07028,(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1,DB02712,Sorbinil
O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccnc21,DB08449,"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid"
O=C(O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O,DB07093,"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID"
O=C(O)CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1,DB07498,"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID"
O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])o2)o1,DB08098,"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid"
O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21,DB02132,Zenarestat
O=C(O)COC(=O)c1cc2ccccc2c2c1S(=O)(=O)N(CC(=O)O)C2=O,DB07999,"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID"
O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,DB00973,Ezetimibe
CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O,DB12271,ORE-1001
O=[N+]([O-])c1ccc(O)c(OS(=O)(=O)O)c1,DB01800,4-Nitrocatechol sulfate
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,DB00141,N-Acetylglucosamine
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB03501,Galactose-uridine-5'-diphosphate
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB03685,Uridine monophosphate
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O,DB03013,N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine
NCCCCCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O,DB02696,"6-Aminohexyl-uridine-C1,5'-diphosphate"
O=P(O)(O)[C@@H](NCc1ccccc1)c1ccccc1,DB03577,Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
CCCNC(=O)[C@H](O)[C@@H](O)C(=O)O,DB03390,"(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid"
CN1CCN(CCCCN2C(=O)CN(N=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1,DB04957,Azimilide
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,DB00533,Rofecoxib
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)CP(=O)(O)O)[C@@H](O)[C@H]1O,DB02607,Adenosine Phosphonoacetic Acid
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,DB03103,Thymidine-5'- Diphosphate
O=c1ccn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,DB04068,"2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate"
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,DB02181,2'-Deoxyguanosine-5'-Triphosphate
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](N)[C@H]1O,DB04366,3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate
Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,DB02887,Stavudine triphosphate
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,DB03491,2'-Deoxyguanosine-5'-Diphosphate
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,DB04542,Zidovudine diphosphate
Cc1cn([C@H]2C=C[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,DB02569,"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate"
CC(C)(C(=O)c1cccnc1)c1cccnc1,DB01011,Metyrapone
N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1,DB11837,Osilodrostat
COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O,DB02400,ES-936
CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O,DB04090,RH-1
COC1=CC(=O)c2c(c(COc3ccccc3)c(C)n2C)C1=O,DB03626,"5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione"
Cn1c(CCCO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O,DB02395,"3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol"
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,DB00266,Dicoumarol
C[C@@H]1CN1C1=CC(=O)c2c(c(CO)c(-c3ccccc3)n2C)C1=O,DB07385,"3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE"
O=C1Oc2ccccc2C(=O)[C@@H]1C[C@H]1C(=O)Oc2ccccc2C1=O,DB04392,"Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]"
COC(=O)Nc1nc2cc(Sc3ccc(NC(=O)[C@H](C)N)cc3)ccc2[nH]1,DB05932,Denibulin
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1,DB05969,SNS-032
Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1,DB01120,Gliclazide
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC,DB04661,cis-tetracosenoyl sulfatide
CCCCCCC#Cc1ccccc1/C=C/C(=O)O,DB08492,(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],DB00727,Nitroglycerin
O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],DB01613,Erythrityl tetranitrate
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],DB00883,Isosorbide dinitrate
N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O,DB00325,Nitroprusside
COc1cc(=O)n(C)c2c3c(ccc12)OCO3,DB08744,Casimiroin
COc1cc(NC(C)CCCN)c2ncccc2c1,DB01087,Primaquine
CN1C[C@@H](O)C2=CC(=O)C(=O)C=C21,DB07339,"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione"
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1,DB08190,N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
COc1ccc(OC)c2c1c(C)cc(=O)n2C,DB08228,"5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one"
NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-],DB04253,Tretazicar
O=P(O)(O)C[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,DB02393,"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate"
CC(C)(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21,DB04463,"3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol"
OCCOCCOCCOCCOCCOCCOCCO,DB03394,Heptaethylene glycol
CCOCCOCCOCCOCCOCCOCCOCCOCCO,DB03556,"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400"
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,DB01698,Rutin
CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1,DB06586,Cetilistat
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12,DB09093,Chlortetracycline
CCCCCCCCCCC[P@](=O)(O)OC,DB08222,METHOXYUNDECYLPHOSPHINIC ACID
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,DB04465,Lactose
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,DB04680,GALACTOSE GREASE
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1,DB07341,"octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside"
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)C[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,DB07633,octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB03435,Uridine-5'-Diphosphate
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,DB04681,BETA-METHYLLACTOSIDE
CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O,DB04679,Human blood group H type 1 trisaccharide
CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O,DB07378,"4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL"
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O,DB04678,H TYPE II TRISACCHARIDE
CC(=O)N[C@H]1[C@@H](O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,DB02196,Uridine-Diphosphate-N-Acetylgalactosamine
CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)C[C@H]1O,DB03772,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol"
CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O,DB07357,"4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL"
CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O,DB01597,Cilastatin
N[C@@H](CSCc1ccccc1)C(=O)O,DB04531,S-Benzylcysteine
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCCCCCCCCCCCC,DB00144,Phosphatidyl serine
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1,DB06641,Perifosine
C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,DB05013,Ingenol mebutate
CC(=O)N[C@H](Cc1cccc2ccccc12)[B-](O)(O)O,DB08566,D-1-naphthyl-2-acetamido-ethane boronic acid
C[C@H](Cc1ccccc1O)C(=O)O,DB01662,Trans-O-Hydroxy-Alpha-Methyl Cinnamate
CC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl,DB07899,(2S) N-acetyl-L-alanyl-αL-phenylalanyl-chloroethylketone
O=C(O)/C=C/c1ccc(O)cc1O,DB01704,"2,4-Dihydroxy-Trans Cinnamic Acid"
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1ccccc1,DB07749,2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[B-](O)(O)O,DB08693,L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
CC(=O)N[C@H](Cc1ccc(Cl)cc1)[B-](O)(O)O,DB08692,D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid
CCN(CC)c1ccc(/C=C(\C)C(=O)O)c(O)c1,DB07668,alpha-Methyl-2-hydroxy-4-diethylaminocinnamic acid
CC(=O)N[C@@H](Cc1ccccc1)C(O)(O)C(F)(F)F,DB07383,"N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE"
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F,DB08119,"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)"
CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F,DB07380,"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)"
CC(=O)N[C@@H](Cc1cccc2ccccc12)[B-](O)(O)O,DB08565,L-1-naphthyl-2-acetamido-ethane boronic acid
N[C@@H](Cc1ccccc1)C(=O)CCl,DB08374,Phenylalanylmethylchloride
O=C(N[C@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1,DB04098,Balanol
NC[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,DB07857,(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1,DB02611,Balanol Analog 1
O=c1[nH]ccc2c(S(=O)(=O)N3CCCNCC3)cccc12,DB04707,Hydroxyfasudil
CNCCNS(=O)(=O)c1cccc2cnccc12,DB07997,N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Clc1ccc(C2(c3ccc(-c4ncnc5[nH]cnc45)cc3)CCNCC2)cc1,DB07856,6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12,DB08073,(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
NCC1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,DB08148,"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine"
N[C@@H](c1ccccc1)c1ccc(-c2ncnc3[nH]cnc23)cc1,DB07855,(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
O=S(=O)(NC[C@@H]1C[C@@H](OCc2ccc(Cl)cc2)CN1)c1cccc2cnccc12,DB07583,"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE"
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(C(=O)c2ccccc2O)cc1)c1ccc(O)cc1,DB01940,Balanol Analog 2
c1ccc2c(-c3ccncc3)n[nH]c2c1,DB08113,3-pyridin-4-yl-1H-indazole
CNc1nccc(-c2ccc(C(=O)N[C@H](CN)Cc3ccc(Cl)cc3Cl)s2)n1,DB07235,"N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE"
Cc1n[nH]cc1-c1ccc(CCN)cc1,DB08070,2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
CC[C@H](C)c1cc(C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c2ccc(C(=O)c3cc(OC)ccc3O)cc2)ccc1O,DB02155,3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate
O=S(=O)(NCCNCCOCc1ccc(Cl)cc1)c1cccc2cnccc12,DB07947,ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Cc1cncc2cccc(S(=O)(=O)N3CCCNC[C@@H]3C)c12,DB07876,(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE
CC1CNCCN1S(=O)(=O)c1cccc2cnccc12,DB07996,5-(2-methylpiperazine-1-sulfonyl)isoquinoline
CN1CCC[C@H]1CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21,DB07458,"3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione"
N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)CC1C=Nc2ccccc21,DB06959,(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(Br)cc4)c3)cc12,DB08569,"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE"
N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,DB07107,(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
N[C@H](COc1cncc2nc(-c3ccncc3)ccc12)Cc1c[nH]c2ccccc12,DB07204,"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE"
CNCc1ccc(-c2ncnc3[nH]cnc23)cc1,DB07854,N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE
NC[C@H](c1ccccc1)c1ccc(Cl)cc1,DB07860,(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE
N[C@H](COc1cncc(-c2ccc3n[nH]cc3c2)c1)CC1=C2C=CC=CC2N=C1,DB06977,(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine
NC[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,DB07858,(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
NCC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,DB08149,"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine"
N[C@H](COc1cncc(C2=NCC3=NN=CC3=C2)c1)CC1=C2C=CCC=C2N=C1,DB07124,"(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE"
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccccc4)c3)cc12,DB08568,A-674563
O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12,DB07995,H-89
Nc1ncc(Cc2ccccc2)s1,DB08114,"5-benzyl-1,3-thiazol-2-amine"
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,DB08150,"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium"
Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,DB07859,4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE
C=Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O,DB08163,5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine
C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,DB00118,Ademetionine
CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1,DB12095,Telotristat ethyl
O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,DB09028,Cytisine
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,DB00333,Methadone
Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1,DB07720,Epibatidine
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,DB01245,Decamethonium
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,DB00981,Physostigmine
Cc1ncccc1OC[C@@H]1CCCN1,DB05458,Pozanicline
c1cnc2cc3c(cc2n1)C1CNCC3C1,DB01273,Varenicline
COc1c(F)c(F)c(C(N)=O)c(F)c1F,DB01827,"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide"
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,DB04879,Vatalanib
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,DB06626,Axitinib
Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12,DB05075,TG-100801
O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1,DB07288,N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCNCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O,DB06333,Trodusquemine
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)OCc1ccccc1,DB08549,"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER"
O=P(O)(O)C(F)(F)c1ccc(CC(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2ccc(F)c(F)c2)n2nnc3ccccc32)cc1,DB02651,"{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)"
O=P(O)(O)C(F)(F)c1ccc(CCCCc2ccc(C(F)(F)P(=O)(O)O)cc2)cc1,DB04204,[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid
NCc1ccc(NC(=O)C(=O)O)cc1,DB02420,"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,"
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)C(N)=O,DB07651,N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
O=P(O)(O)C(F)(F)c1ccc(C[C@](C/C=C/c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc32)cc1,DB04285,"{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid"
O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O,DB04001,6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
Cn1nc(-c2ccccc2)cc1NS(=O)(=O)O,DB04800,1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
O=C(O)C(=O)CC(=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1,DB08147,"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid"
NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccccc1,DB03483,(4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid
O=C(O)c1ccc2cc(C(F)(F)P(=O)(O)O)ccc2c1,DB08397,6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
O=C(O)C(=O)Nc1ccccc1C(=O)O,DB02622,2-(Oxalyl-Amino)-Benzoic Acid
O=P(O)(O)Oc1ccc(Cc2ccc(OP(=O)(O)O)cc2)cc1,DB07480,4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
C=CCOC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)NCCCCOc1cccc(O)c1C(=O)OC,DB04088,2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid
O=C(O)COc1c(C(=O)O)sc(-c2ccccc2)c1Br,DB07130,4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
O=C(O)C(=O)Nc1cc2ccccc2cc1C(=O)O,DB01734,3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid
COC(=O)c1c(O)cccc1OC/C=C/c1ccc(F)c(-c2cc(C(=O)O)no2)c1,DB02014,"5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid"
CCc1oc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,DB03311,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide"
O=C1C=C(c2cccc(O)c2)S(=O)(=O)N1,DB07730,"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE"
O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCC3)c2)c1Br,DB06829,4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID
CCc1oc2cc(S(=O)(=O)N(C)C)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,DB04142,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide"
CNC(=O)[C@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)OC(C)(C)C,DB07719,"[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid"
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O,DB04525,N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide
NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc2cc(C(F)(F)P(=O)(O)O)ccc2c1,DB03714,4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid
O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCc3ccccc3)c2)c1Br,DB07289,5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)NS2(=O)=O)cc1)C(N)=O,DB08003,ISOTHIAZOLIDINONE ANALOG
O=C(O)COc1c(C(=O)O)sc2ncccc12,DB07298,"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID"
CCc1oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,DB02259,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide"
CC(=O)NCCSSCCNC(=O)C1CCC(NC(=O)c2nccnc2C(=O)O)CC1,DB02620,3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid
O=C(O)COc1c(C(=O)O)sc(-c2ccc(O)cc2)c1Br,DB07197,4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
O=C1CN(c2csc(-c3ccccc3)c2Cl)S(=O)(=O)N1,DB07134,"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE"
CCCCCN[C@H](O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)N[C@@H](O)[C@H](Cc1ccccc1)N[C@@H](O)OC(C)(C)C,DB02977,PNU177836
O=C(CBr)NCCC(=O)N[C@@H](CO)C(=O)NCCc1ccc(NC(=O)C(=O)O)cc1,DB02784,N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O,DB01820,2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid
O=C1CN(c2ccccc2)S(=O)(=O)N1,DB08593,"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE"
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2,DB02072,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid"
O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccccc12,DB03982,"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid"
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCO[C@H]2COC1=NS(=O)(=O)c2ccccc21,DB02827,"7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid"
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2,DB03670,"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid"
O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2,DB03102,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid"
CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)N[C@@H](Cc1ccccc1)C(=O)O,DB02436,{4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid
COc1ccc(-c2ccccc2)cc1N1CC(=O)NS1(=O)=O,DB08591,"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE"
O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccc(O)cc12,DB07295,2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
O=C(O)C(=O)Nc1ccc(I)cc1C(=O)O,DB02662,Novo Nordisk a/S Compound
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)O)c2CO)c1,DB08001,5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
COC(=O)[C@H](Cc1ccc(C[Se](=O)O)cc1)NC(=O)OC(C)(C)C,DB08783,(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
O=C(c1ccccc1)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)c1ccccc1,DB07263,"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid"
N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O,DB08371,p-Benzoyl-L-phenylalanine
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)OC(C)(C)C,DB06887,"[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid"
O=P(O)(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1,DB03154,{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid
NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)(O)O)cc1)NC(=O)C(CC(=O)O)NC(=O)Cc1ccc(C(F)(F)P(=O)(O)O)cc1,DB03557,4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid
CCC(=O)Nc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C.Cl.O,DB05461,OPC-28326
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,DB01216,Finasteride
C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12,DB01126,Dutasteride
CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)N[C@@H](C(=O)O)[C@@H](C)O,DB04150,"N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine"
CC(=O)N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)NCC(=O)O,DB02598,"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine"
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)O,DB07637,Dibromotyrosine
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1,DB05399,Succinobucol
O=C1c2cc3sc(-c4cccc([N+](=O)[O-])c4)cc3n2C(=S)N1CCCN1CCOCC1,DB03507,"6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One"
CC(C)c1ccc(C(=O)NC(=N)N)cc1S(C)(=O)=O,DB06468,Cariporide
CC(C)Nc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1,DB07546,[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DB07557,"3,20-Pregnanedione"
O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl,DB08402,"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID"
C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,DB00307,Bexarotene
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,DB00749,Etodolac
CCCC[SnH](CCCC)CCCC,DB08601,Tributyltin
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,DB04557,Arachidonic Acid
COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1,DB08063,"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE"
Cc1nccn1Cc1cc(-c2ccc(F)c(C(F)F)c2)cnn1.Cl.Cl,DB05956,EVT-101
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl,DB07863,2-chloro-5-nitro-N-phenylbenzamide
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB04348,Taurocholic acid
C#C[C@]1(O)CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,DB05212,HE3286
CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O,DB08814,Triflusal
N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl,DB09343,Tipiracil
NCc1cccc(C2CCN(C(=O)c3cncc(CCc4ccccc4)c3)CC2)c1,DB04764,[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
N=C(N)c1ccc(CC(=O)C(=O)O)cc1,DB02018,Amido Phenyl Pyruvic Acid
NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2,DB06962,JNJ-27390467
NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1ccc1[nH]ncc12,DB08527,"1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE"
CNS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=N)NC3=O)o2)cc1,DB07533,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE"
O=C1N=c2ccc3ncsc3c2=C1CNc1ccc(S(=O)(=O)Nc2ccccn2)cc1,DB06844,"4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE"
NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1,DB07688,"4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE"
COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12,DB08178,"4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine"
CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1,DB08463,(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12,DB08182,"4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine"
O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)n[nH]1,DB06944,N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide
NS(=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1,DB08248,3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE
Cc1nc(C)c(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)s1,DB02915,"4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine"
N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1,DB07539,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID"
c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1,DB06948,2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE
Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1,DB07562,"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE"
Oc1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,DB08233,6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE
Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1,DB02407,6-O-Cyclohexylmethyl Guanine
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,DB07126,O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE
Nc1nccc(-c2c3c(O)ccnc3n3c(N)nccc23)n1,DB08694,Variolin B
COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC,DB07471,"5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE"
O=[N+]([O-])c1cccc(/N=C2/N=CCC(c3cccc(Cn4cncn4)c3)=N2)c1,DB08218,"HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM"
c1cnn2ncc(-c3ccnc(NC4CC4)n3)c2c1,DB07164,"N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine"
N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,DB07534,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE"
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,DB02833,[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine
Clc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1,DB07203,6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE
C[C@H](C(=O)/N=C1\C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1,DB07137,(2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide
Cn1nc(C(=O)O)c2c1-c1nc(Nc3ccccc3)ncc1CC2,DB08355,"1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid"
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1,DB08285,"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol"
NC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,DB08241,4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE
Cc1nc(C)c(-c2ccnc(N)n2)s1,DB02091,"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine"
N=C1NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)o2)S1,DB07538,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE"
NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1,DB08572,4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE
Cc1nc(N)sc1C1=N/C(=N\c2ccc(N3CCOCC3)cc2)N=CC1,DB08219,"4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine"
O=S(=O)(CCNCCCO)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,DB08309,3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL
Cc1nc(C(=O)O)nn1-c1cc(Cl)cc(Cl)c1,DB07852,"1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID"
CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,DB16739,MK-886
CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1,DB06346,Fiboflapon
O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1,DB16346,Veliflapon
C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,DB13720,Diphemanil
CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,DB14013,SR-9009
CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,DB14014,SR-9011
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,DB00188,Bortezomib
C[C@]12OCC[C@H]1C(=O)N[C@]2(C=O)[C@@H](O)[C@@H]1C=CCCC1,DB08515,"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE"
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,DB08889,Carfilzomib
O=P(O)(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,DB02900,alpha-D-mannose 6-phosphate
O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,DB02755,1-3 Sugar Ring of Pentamannosyl 6-Phosphate
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)N3Cc3ccc4c(CO)c(OC)ccc4c3)[C@H]21,DB03932,LFA703
CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1,DB11611,Lifitegrast
CCOc1ccccc1Sc1ccc(-c2ccnc(N3CCN(C(C)=O)CC3)c2)cc1[N+](=O)[O-],DB02177,1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine
Nc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1,DB07486,"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline"
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O,DB04724,"(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide"
N#CC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2CCC[C@]12Cc1ccc(C#N)cc1,DB06972,"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile"
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,DB00190,Carbidopa
NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,DB12783,Benserazide
c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1,DB08369,1-(biphenyl-4-ylmethyl)-1H-imidazole
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,DB04664,Cyclohexyl-pentyl-maltoside
c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,DB04794,Bifonazole
N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,DB06408,Taribavirin
O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,DB04820,Nialamide
CCCCCCCCCCP(C)(C)=O,DB07641,Decyl(dimethyl)phosphine oxide
O=C([C@@H](O)CO)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1,DB04850,Posizolid
C#CCN(C)[C@H](C)Cc1ccccc1,DB01037,Selegiline
CCN(CC)CCOC(=O)c1ccc(N)cc1,DB00721,Procaine
COc1cc(CC(C)N)cc2c1OCO2,DB01442,MMDA
COc1ccc2c(c1)[nH]c1c(C)nccc12,DB07919,Harmine
Cc1cccc(N2CC(CO)OC2=O)c1,DB09245,Toloxatone
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,DB01171,Moclobemide
Cc1cc(C(=O)NNCc2ccccc2)no1,DB01247,Isocarboxazid
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1,DB04832,Zimelidine
C#CCN(C)CCCOc1ccc(Cl)cc1Cl,DB04017,Clorgiline
COc1cc(Br)c2oc(C3CCNCC3)cc2c1,DB13876,Brofaromine
CNNCc1ccc(C(=O)NC(C)C)cc1,DB01168,Procarbazine
CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,DB06660,Saredutant
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N,DB12612,Ozanimod
CCC/N=C1\S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C,DB12016,Ponesimod
CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1,DB12371,Siponimod
Nc1ccccc1C(=O)CCC(=O)O,DB08060,4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,DB11745,Otenabant
Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,DB06155,Rimonabant
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,DB00470,Dronabinol
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21,DB00486,Nabilone
CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1,DB09288,Propacetamol
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O,DB02955,Ricinoleic acid
CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,DB00806,Pentoxifylline
CCCNCCCNCCCNCC,DB04633,"N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine"
Oc1cc2c(cc1O)[C@@H]1c3ccccc3CN[C@H]1CC2,DB12890,Dihydrexidine
CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,DB00353,Methylergometrine
CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,DB11275,Epicriptine
OC(c1ccccc1)(c1ccccc1)C1CCCCN1,DB11584,Pipradrol
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F,DB15011,Avacopan
CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O,DB06739,Seratrodast
O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1,DB01207,Ridogrel
CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O,DB01375,Aluminium monostearate
CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2Cl)cc1,DB02491,4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,DB08689,Ubiquinone Q1
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,DB00323,Tolcapone
O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1,DB03336,BIA
O=c1cc(-c2ccccc2)c2ccc(O)c(O)c2o1,DB08049,"7,8-dihydroxy-4-phenyl-2H-chromen-2-one"
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,DB00494,Entacapone
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc([N+](=O)[O-])cc(O)c2O)[C@@H](O)[C@H]1O,DB03907,"N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide"
O=C(c1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],DB07462,"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE"
O=[N+]([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,DB02105,"3,5-Dinitrocatechol"
Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1,DB11632,Opicapone
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,DB00845,Clofazimine
NCC(=O)NC1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,DB02236,Glycinamide Ribonucleotide
N[C@H]1N=C(O)C(CCC[C@H](c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)C(O)(O)C(F)(F)F)[C@@H](N)N1,DB03546,"N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid"
CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C,DB06525,Ganstigmine
C[N+](C)(C)c1cccc(C(O)(O)C(F)(F)F)c1,DB03359,"M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene"
CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,DB00863,Ranitidine
COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,DB01199,Tubocurarine
CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1,DB08167,Methylthioninium
C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2,DB04864,Huperzine A
Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cnnn1CCNc1c3c(nc4ccccc14)CCCC3)c1cc(N)ccc21,DB03005,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium"
CN(C)c1ccc(-c2sc3cc(O)ccc3[n+]2C)cc1,DB08615,"2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM"
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23,DB03348,Huperzine B
Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(C(O)(O)C(F)(F)F)c1,DB07756,"1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL"
CCc1ccccc1NC(=O)Oc1ccc2c(c1)C1(C)CC[N+](C)([O-])C1N2C,DB07846,"(3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate"
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2,DB04859,Zanapezil
CCOCCOCCOCCOCCOCC,DB02343,"3,6,9,12,15-Pentaoxaheptadecane"
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,DB01400,Neostigmine
CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc21,DB08996,Dimetacrine
OCCOCCOCCOCCOCCOCCOCCS,DB02404,1-Deoxy-1-Thio-Heptaethylene Glycol
[NH3+]CCCCCCCCNc1c2c([nH+]c3ccccc13)CCCC2,DB04617,"(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM"
c1ccc2c(NCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)ccnc2c1,DB04616,TACRINE(8)-4-AMINOQUINOLINE
Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cn(CCNc3c4c(nc5ccccc35)CCCC4)nn1)c1cc(N)ccc21,DB02226,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium"
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2,DB07701,"1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE"
CCC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2,DB04114,"3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine"
O=c1ccc2c([nH]1)CCC[C@H]2NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2,DB04614,(R)-tacrine(10)-hupyridone
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl,DB01122,Ambenonium
CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21,DB02166,Propidium
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCN1C(=O)c3ccccc3C1=O)=C2,DB02673,"(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium"
C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,DB07555,"Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium"
C[C@@H]1CN(CCCCCCCCNC=O)C[C@H](C)O1,DB04021,MF268
O=c1ccc2c([nH]1)CCC[C@@H]2NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2,DB04615,(S)-tacrine(10)-hupyridone
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC,DB06217,Vernakalant
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F,DB11633,Isavuconazole
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO,DB03880,Batimastat
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)P(=O)(O)O)cc2)cc1,DB07772,"(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid"
N[C@H]1CCCCCCCCCCNC1=O,DB08476,3-AMINO-AZACYCLOTRIDECAN-2-ONE
O=C(O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,DB03207,"2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid"
O=C1N=C(O)NC(=O)[C@@]1(c1ccccc1)N1CCC(CCO)CC1,DB03622,"5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione"
CC(C)C[C@@H](C=O)[C@H](O)C(=O)NO,DB07900,3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE
O=C(O)[C@@H](CS)Cc1ccccc1,DB02953,2-Thiomethyl-3-Phenylpropanoic Acid
NC(=O)C[C@@H]1CCCc2sc3nc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)[nH]c(=O)c3c21,DB07397,"(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide"
CN(CCOc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO,DB06971,"N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA"
C=CCC/N=C1/NN=C(c2ccc(Cl)cc2)CS1,DB08028,"BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE"
COc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(C)C)P(=O)(O)O)cc2)cc1,DB07713,"(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid"
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,DB01452,Diamorphine
C[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CC[C@H]1C[C@@H](O)CC(=O)O1,DB08224,"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL"
CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C,DB00647,Dextropropoxyphene
CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1,DB06442,Avasimibe
CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,DB04838,Cyclandelate
CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)[C@H](O)c1ccccc1)C2,DB02161,Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester
O=C(CC(=O)C(F)(F)F)c1cccs1,DB04795,Thenoyltrifluoroacetone
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,DB01599,Probucol
CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O,DB09215,Droxicam
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1,DB12445,Nitroaspirin
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,DB00554,Piroxicam
Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1,DB00963,Bromfenac
O=C(Oc1ccccc1)c1ccccc1O,DB11071,Phenyl salicylate
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1O,DB11201,Menthyl salicylate
Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,DB01283,Lumiracoxib
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,DB00812,Phenylbutazone
Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,DB00500,Tolmetin
CC(C(=O)O)c1cccc(Oc2ccccc2)c1,DB00573,Fenoprofen
O=C(O)c1ccccc1O.OCCN(CCO)CCO,DB11079,Trolamine salicylate
CCOc1ccc(NC(C)=O)cc1,DB03783,Phenacetin
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(I)cc1,DB07983,1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12,DB07981,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide
C[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1,DB02047,(+)-2-(4-biphenyl)propionic acid
COC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1,DB03753,Flurbiprofen Methyl Ester
COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,DB13783,Acemetacin
CC(=O)ONC(=O)c1ccccc1O,DB03667,Acetic Acid Salicyloyl-Amino-Ester
O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Mg+2],DB01397,Magnesium salicylate
C[C@H](C(=O)O)c1ccc(C(=O)c2ccc(I)s2)cc1,DB03752,P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid
CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12,DB07984,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide
O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,DB00861,Diflunisal
CCCCOc1ccc(CC(=O)NO)cc1,DB13346,Bufexamac
C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1,DB09214,Dexketoprofen
C[N+](C)(C)CCO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Mg+2],DB01401,Choline magnesium trisalicylate
O=C(Oc1ccccc1C(=O)O)c1ccccc1O,DB01399,Salsalate
NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,DB06802,Nepafenac
CCCOc1ccc(CC(=O)O)cc1Cl,DB02773,(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,DB01009,Ketoprofen
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,DB00788,Naproxen
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,DB00465,Ketorolac
O=C(OCCO)c1ccccc1O,DB11323,Glycol salicylate
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,DB00586,Diclofenac
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,DB00469,Tenoxicam
CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,DB00712,Flurbiprofen
O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,DB00991,Oxaprozin
O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,DB13501,Bendazac
Cc1cccc(Nc2ccccc2C(=O)O)c1C,DB00784,Mefenamic acid
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,DB09212,Loxoprofen
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O,DB00154,Dihomo-gamma-linolenic acid
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,DB00870,Suprofen
O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21,DB09295,Talniflumate
C=Cc1c(C)c2n3c1C=c1c(C)c(C=C)c4n1[Co]31n3c(c(C)c(CCC(=O)O)c3C=c3c(CCC(=O)O)c(C)c(n31)=C2)C=4,DB02110,Protoporphyrin Ix Containing Co
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,DB00821,Carprofen
O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12,DB01419,Antrafenine
Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,DB09216,Tolfenamic acid
Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C,DB04817,Metamizole
CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,DB06725,Lornoxicam
Cc1cc(=O)n(-c2ccccc2)n1C,DB01435,Antipyrine
CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,DB01600,Tiaprofenic acid
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,DB06736,Aceclofenac
Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,DB00814,Meloxicam
COc1ccc2cc(CCC(C)=O)ccc2c1,DB00461,Nabumetone
CC[C@@H](C(N)=O)N1C[C@H](C=C(F)F)CC1=O,DB05885,Seletracetam
COc1nsc(NC(=O)N2C[C@H]3C[C@H](N(C)c4ncnc5[nH]ccc45)C[C@H]3C2)n1,DB16756,Ivarmacitinib
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,DB14845,Filgotinib
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,DB02375,Myricetin
CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12,DB15091,Upadacitinib
O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,DB01133,Tiludronic acid
Nc1ncnc2c1ncn2[C@@H]1C=C[C@H](O)[C@H]1O,DB03216,"(1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine"
Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)C(=O)O,DB03769,D-Eritadenine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(=O)[C@H]1O,DB03273,3'-Oxo-Adenosine
O=C(c1ccc2nonc2c1)N1CCOCC1,DB05047,CX-717
O=P(O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,DB03401,"1D-myo-inositol 1,4,5-trisphosphate"
C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,DB01074,Perhexiline
Cc1cn([C@H]2C[C@H](F)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB03195,3'-Fluoro-3'-deoxythymidine 5'-monophosphate
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB03666,Zidovudine monophosphate
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)(O)OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)nc1[O-],DB03845,P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O,DB03280,p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate
Cc1cn([C@H]2C[C@H](N)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB03233,3'-deoxy-3'-aminothymidine monophosphate
Cc1cn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB03150,"2',3'-Dideoxythymidine-5'-Monophosphate"
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)/C2=C\F)c(=O)n1,DB06433,Tezacitabine
Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].[Ga+3],DB05420,Gallium maltolate
O=C(Nc1ccc2ccccc2c1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O,DB07680,[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID
N=C(N)N1CCc2ccccc2C1,DB04840,Debrisoquine
Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1.Cl.O,DB05642,DDP-225
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,DB01114,Chlorpheniramine
CCN(CC)C(C)C(=O)c1ccccc1,DB00937,Diethylpropion
CNC(C)Cc1ccc2c(c1)OCO2,DB01454,Midomafetamine
NC(=O)OC[C@H](N)Cc1ccccc1,DB14754,Solriamfetol
C[C@H]1[C@H](c2ccccc2)OCCN1C,DB01579,Phendimetrazine
O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,DB04836,Amineptine
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,DB00579,Mazindol
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,DB01105,Sibutramine
NC(N)=NCCN1CCCCCCC1,DB01170,Guanethidine
CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,DB06700,Desvenlafaxine
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,DB00476,Duloxetine
CNCC[C@@H](Oc1ccccc1C)c1ccccc1,DB00289,Atomoxetine
COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,DB00285,Venlafaxine
CCN(CC)C(=O)C1(c2ccccc2)CC1CN,DB04896,Milnacipran
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,DB06701,Dexmethylphenidate
NC(N)=NCC1COC2(CCCCC2)O1,DB00226,Guanadrel
CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1,DB00234,Reboxetine
N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,DB12305,Dasotraline
CCOC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C,DB06156,Tesofensine
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,DB01156,Bupropion
CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,DB06204,Tapentadol
CC1NCCOC1c1ccccc1,DB00830,Phenmetrazine
CNCCCC1c2ccccc2C=Cc2ccccc21,DB00344,Protriptyline
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,DB08918,Levomilnacipran
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)CP(=O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1,DB04318,Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,DB08932,Macitentan
Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,DB06268,Sitaxentan
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,DB00559,Bosentan
CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2,DB06460,Enrasentan
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,DB06403,Ambrisentan
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO,DB06558,Tezosentan
O=C(O)c1ccc(OCCn2ccnc2)cc1,DB03052,Dazoxiben
O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,DB04214,4-Nitrophenyl Phosphate
CN(C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1,DB07501,(2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol
CC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1,DB08673,"4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE"
Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1,DB03307,4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide
Nc1cc2[nH]cnc2c(OCC2CCCCC2)n1,DB02603,1-Amino-6-Cyclohex-3-Enylmethyloxypurine
CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12,DB07606,"6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE"
O=C(N[C@H]1CCCNC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,DB08141,"4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide"
COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1,DB07790,N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c21,DB03737,"4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One"
Fc1ccccc1-c1cc(NCc2ccncc2)n2nccc2n1,DB08534,"5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine"
O=S1(=O)NCCCNc2nc(ncc2Br)Nc2cccc1c2,DB08441,"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE"
N=C1NC(=O)/C(=C\c2ccccn2)S1,DB07529,"(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one"
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2,DB06888,"(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE"
Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)s1,DB07622,"1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA"
CC(C)Nc1cc(Cl)nc2c(C#N)cnn12,DB08139,"5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile"
Cc1nc(C)c(-c2ccnc(Nc3cccc(O)c3)n2)s1,DB04518,"3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol"
NS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1,DB07687,"4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE"
CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc2c(C#N)cnn12,DB08140,"5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE"
O=C(Nc1cc([C@@H]2CCCN2)[nH]n1)Nc1cccc2c1[C@@H]1CCCN1C2=O,DB06976,"1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA"
N#CSc1cnn2c(NCc3ccncc3)cc(-c3cccc(Cl)c3Cl)nc12,DB07065,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine"
Cc1ccccc1-c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1,DB07179,"3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide"
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1,DB07024,"2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE"
N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1,DB04288,2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,DB02197,"4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide"
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)cc1,DB07531,"4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE"
c1ccc(-c2cc(NCc3cccnc3)n3ncc(C4CC4)c3n2)cc1,DB08539,"3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine"
O=C1Nc2ccc(Br)cc2/C1=C1/Nc2ccccc2C1=O,DB07493,5-Bromoindirubin
CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3cc(C(F)(F)F)ccc3F)ncn2)cc1,DB07054,(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
C[C@@]1(O)/C(=C2/C(=O)Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc32)Nc2ccccc21,DB03583,"(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one"
Cc1nc(C)c(-c2ccnc(/N=C/NO)n2)s1,DB04101,"N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide"
Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)ncc2F)n1C(C)C,DB07936,N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine
Nc1nc(OC[C@H]2CCC(=O)N2)c2nc[nH]c2n1,DB02898,(5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone
Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(OC[C@@H](O)CN(C)C)cc2)n1,DB07889,"(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol"
CC(=O)Nc1nccc(-c2c(C)nc3ccccn23)n1,DB02538,"N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide"
N=C(N)NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1,DB08126,"3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole"
NS(=O)(=O)c1cccc2c(O)cccc12,DB08132,5-hydroxynaphthalene-1-sulfonamide
O=C(Nc1ccccn1)Nc1cccc2c1[C@H]1CCCN1C2=O,DB04186,"N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea"
NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1,DB08134,4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
N[C@@H](CCCCNC(=O)O)C(=O)O,DB03801,Lysine Nz-Carboxylic Acid
Brc1cnn2c(NCc3cncnc3)cc(-c3ccccc3)cc12,DB08536,"3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine"
CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CC3)n2)cc1,DB07791,4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(N[C@H]3CC[C@H](N)CC3)nc12,DB01888,"4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide"
OCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12,DB06983,"(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol"
C/C(=C1/SC(=N)NC1=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1,DB07540,"4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE"
Brc1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12,DB07210,"3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine"
Brc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12,DB08535,"3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine"
Nc1n[nH]c(N)c1/N=N/c1ccc(O)cc1,DB07731,CAN-508
Brc1cccc(-c2cc(NCc3ccncc3)[n+]3[nH]ccc3n2)c1,DB07595,"(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE"
Fc1ccccc1-c1cn2ccnc2c(NCc2cccnc2)n1,DB08532,"6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine"
CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(N)c3)cc12,DB07612,6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE
CNc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1,DB04407,4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol
Brc1cccc(-c2cc(NCc3ccncc3)[n+]3[nH]cnc3n2)c1,DB04669,TRIAZOLOPYRIMIDINE
O=C(Nc1cc(C2CC2)n[nH]1)c1ccccc1,DB02647,N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
Nc1nccc(-c2cc(Cl)sc2Cl)n1,DB03019,"4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine"
CNS(=O)(=O)Cc1ccc(N/N=C2\C(=O)Nc3ccc4ncsc4c32)cc1,DB08123,"N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide"
O=C(Nc1ccccc1)c1cc[nH]n1,DB08135,N-phenyl-1H-pyrazole-3-carboxamide
NS(=O)(=O)c1ccc(/N=N/C2=c3cc(Br)ccc3=NC2=O)cc1,DB02973,4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide
CC(C)C(=O)COc1nc(N)nc2nc[nH]c12,DB03663,"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol"
CN(C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1,DB07504,(2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol
Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccccc1,DB04006,"[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone"
O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,DB08138,"{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide"
O=C(Cc1ccc(N2CCCCC2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12,DB07220,"N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE"
CC(C)c1cnc(NC(=O)Cc2cccnc2)s1,DB08677,N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
COc1ccc2sc3c(c2c1)NC[C@@H](CN)NC3=O,DB07431,"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one"
Cc1cnc2c(NCc3ccncc3)nccn12,DB08533,"3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine"
CNS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1,DB08122,"N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide"
NS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3ncnn23)cc1,DB07686,"4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE"
CCc1cnn2c(NCc3cnc(N)nc3)cc(-c3c(F)cccc3F)nc12,DB08538,"N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine"
CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1,DB04662,OLOMOUCINE II
NCCNc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O,DB07163,5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE
NS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1,DB04607,"PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE"
CN(C)C[C@@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,DB07750,"(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol"
O=C1Nc2ccc(-c3cnco3)cc2/C1=C/Nc1ccc2c(c1)CS(=O)(=O)C2,DB08124,"3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one"
Brc1cnc2c(NCc3cncnc3)cc(-c3ccccc3)cn12,DB08537,"3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine"
c1ccc2c(c1)Cc1c-2n[nH]c1-c1ccncc1,DB03490,"3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole"
Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1,DB08312,"6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE"
CC(C)=CCNc1ncnc2[nH]cnc12,DB08768,N(6)-dimethylallyladenine
NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1,DB08133,N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
NS(=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)nc3ncnn23)cc1,DB07685,"4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE"
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC,DB03365,"4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline"
CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1,DB07761,"(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol"
O=C(Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1)c1ccccc1,DB08137,(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CC(=O)Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1,DB08136,4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CN(C)C[C@H](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1,DB07755,"(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol"
Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3)n2)n1C(C)C,DB07982,2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol
Clc1cccc(-c2cc(NCc3ccncc3)n3nccc3n2)c1Cl,DB08531,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine"
CN(C)C[C@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1,DB07751,"(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol"
O=C1Nc2ccccc2/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,DB08125,"4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide"
NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1,DB07618,"2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE"
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N,DB08094,RO-4584820
CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1,DB02963,"(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine"
CC(C)c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1,DB08247,6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,DB08806,Roxatidine acetate
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,DB00585,Nizatidine
CNC(=S)NCCSCc1nc[nH]c1C,DB08805,Metiamide
CN/C(=N/C#N)NCCSCc1nc[nH]c1C,DB00501,Cimetidine
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,DB00927,Famotidine
CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1,DB13760,Niperotidine
COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,DB00590,Doxazosin
COc1ccc(OC)c(C(O)C(C)N)c1,DB00723,Methoxamine
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,DB00298,Dapiprazole
COc1ccc(OC)c(C(O)CNC(=O)CN)c1,DB00211,Midodrine
COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,DB00346,Alfuzosin
CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,DB00706,Tamsulosin
C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,DB06207,Silodosin
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,DB00908,Quinidine
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1,DB06199,Atrasentan
COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,DB04883,Darusentan
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO,DB06677,Clazosentan
Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,DB11949,Vestipitant
COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,DB05421,CP-122721
Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)([O-])O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,DB14019,Fosnetupitant
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,DB00673,Aprepitant
Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,DB09048,Netupitant
COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,DB12436,Vofopitant
C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,DB09291,Rolapitant
CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(C)=O,DB02261,Platelet Activating Factor
Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,DB11614,Rupatadine
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,DB09030,Vorapaxar
N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)OC(=O)N1CCOCC1,DB08195,(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
O=C[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1,DB03984,Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide
C/C=C/C[C@H](C(C)=O)n1cc([C@@](C)(NC(=O)c2ccccc2)C(C)C)nn1,DB07878,"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE"
CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,DB03837,Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)COCc1ccccc1,DB03767,Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide
COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1,DB07839,"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE"
N#CC1(NC(=O)[C@H](CS(=O)(=O)C[C@@H]2CCC(=O)N2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1,DB07587,"N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE"
OCCOc1ccccc1-c1ccc(F)c(F)c1F,DB08611,"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL"
C[C@@](C#N)(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1,DB08755,N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
NCC1(NC(=O)[C@H](CS(=O)(=O)N2CCOCC2)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1,DB07520,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE"
NCC1(NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)N[C@@H](c2ccc(O)cc2)C(F)(F)F)CC1,DB07589,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE"
CN1CCC(C#N)(NC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)CC1,DB08752,N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,DB05983,Bardoxolone methyl
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O,DB06543,Astaxanthin
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,DB03397,Uridine-Diphosphate-N-Acetylglucosamine
COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,DB00218,Moxifloxacin
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,DB01327,Cefazolin
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,DB06654,Safinamide
O=Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12,DB07512,7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
O=C(NCCO)c1ccc(Cl)cc1,DB08082,N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE
CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12,DB07513,7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,DB01132,Pioglitazone
C#CCN[C@H]1CCc2ccccc21,DB03894,N-Propargyl-1(S)-Aminoindan
C#CCN[C@@H]1CCc2ccc(O)cc21,DB04307,5-Hydroxy-N-Propargyl-1(R)-Aminoindan
C=CCN(C)[C@H](C)Cc1ccccc1,DB04677,N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE
C=C(C=N)CCc1ccc(F)cc1,DB08176,(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE
C[C@H](/N=C/c1ccc(OCc2cccc(F)c2)cc1)C(N)=O,DB08516,(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]
C#CCN(C)[C@@H]1CCc2ccccc21,DB02211,(R)-N-methyl-N-2-propynyl-1-indanamine
C=C/C=N/[C@@H]1CCc2c(O)cccc21,DB08480,4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
CC(C)=CCC/C(C)=C\CC/C(C)=C\CO,DB02509,Farnesol
CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1,DB13930,Ulixertinib
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB04604,5-iodotubercidin
C[C@@H]1C(=O)NCCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,DB07154,"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE"
NCc1ccccc1-c1ccccc1,DB07412,1-biphenyl-2-ylmethanamine
NCC1(c2ccccc2)CCCC1,DB04577,1-(1-phenylcyclopentyl)methylamine
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O,DB06203,Alogliptin
O=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O,DB07482,(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,DB04876,Vildagliptin
O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O,DB11723,Dutogliptin
COc1ccc(N2CC[C@H](N)[C@H](c3cccc(C)c3)C2)cc1OC,DB07851,"(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE"
N[C@H]1Cn2c(nc3cnccc32)C[C@@H]1c1cc(F)c(F)cc1F,DB07021,"(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine"
NC(=O)c1cccc(-c2ccc([C@H](N)Cc3cc(F)ccc3F)cc2)c1,DB07181,"4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide"
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,DB01261,Sitagliptin
N[C@H]1C[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CC[C@@H]1c1cc(F)c(F)cc1F,DB07072,"(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE"
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](N)Cc1ccccc1F,DB04578,"(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"
Cn1cnc2cc(C#N)c(-c3ccccc3Cl)c(CN)c21,DB07239,7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile
N[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,DB07830,"(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE"
C[C@@H]1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,DB07081,"(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE"
CC(=O)N(C)[C@H]1CC[C@H]([C@H](C)[C@H](N)C(=O)N2CC[C@H](F)C2)CC1,DB06939,"N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE"
COc1ccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)cn1,DB08445,"(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE"
N[C@@H](Cc1ccc(I)cc1)C(=O)O,DB03660,4-Iodo-L-phenylalanine
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,DB08882,Linagliptin
CS(=O)(=O)c1ccc(-c2noc([C@@H](CC3CC3)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1,DB06994,"(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine"
Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2C#N)n(C)c1=O,DB08743,"2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE"
N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(=O)N1CCCC1,DB07015,"(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine"
CN(C)C(=O)[C@@H]([C@H]1CC[C@H](c2cccc3ncnn32)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1,DB07135,"(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE"
N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F,DB08051,"(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE"
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,DB06335,Saxagliptin
C#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1,DB07356,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE"
CN(C)C(=O)[C@@H](c1ccc(-c2ccc3ncnn3c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,DB08504,"6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM"
CC#C[C@H]1CC[C@@H](CN)N1C(=O)[C@@H](N)C1CCCC1,DB06880,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE"
CS(=O)(=O)c1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1,DB07666,"(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE"
O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1,DB08382,Gosogliptin
COc1cc(OC)cc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1,DB02004,"5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine"
Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2Cc2ccccc2)n(C)c1=O,DB08530,"7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE"
N[C@@H](CC(=O)N1CCCNC(=O)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F,DB07271,"4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one"
N[C@H]1CC(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)=CC[C@@H]1c1cc(F)c(F)cc1F,DB08044,ABT-341
CS(=O)(=O)c1ccc([C@H]2NOC([C@@H](CC3CC3)[C@H](N)C(=O)N3CC[C@H](F)C3)N2)c(F)c1,DB06993,"(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine"
NC[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1,DB08024,1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(F)cc1,DB08672,4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
CCOC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2,DB06127,Bisegliptin
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2,DB07465,"(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile"
CN(C)C(=O)[C@@H]([C@H]1CC[C@H](c2ccc3ncnn3c2)CC1)[C@H](N)C(=O)N1CCC(F)(F)C1,DB07092,"(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE"
N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2ccccc2c1=O,DB08588,2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE
CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cccc(Cl)c2)c1,DB08429,N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F,DB07779,N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE
C[C@@H](CC1(c2nn[nH]n2)c2ccc(C(=O)N(C)C)cc2CCc2cc(C(=O)N(C)C)ccc21)NCC(=O)N1CCC[C@H]1C#N,DB06011,AMG-222
CS(=O)(=O)c1ccc2c(c1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1,DB07193,"(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine"
C[C@H](c1nc(-c2ccc(S(C)(=O)=O)cc2)no1)[C@H](N)C(=O)N1CCCC1,DB07067,"(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE"
COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3CN)N2)cc1,DB07328,"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE"
CS(=O)(=O)c1cccc(-c2cc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1,DB08164,"(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE"
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O,DB05494,Elacytarabine
O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)cc1,DB08299,"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid"
C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,DB01303,Oxtriphylline
CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC,DB06842,(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,DB01656,Roflumilast
N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1,DB05219,Crisaborole
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C,DB06479,Propentofylline
CC(C)C(=O)c1c(C(C)C)nn2ccccc12,DB05266,Ibudilast
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,DB01954,Rolipram
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,DB00651,Dyphylline
COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1,DB01791,Piclamilast
CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC,DB06751,Drotaverine
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O,DB08059,Wortmannin
CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,DB04701,S-Methyl glutathione
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,DB00918,Almotriptan
CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,DB00998,Frovatriptan
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1OC,DB00604,Cisapride
COc1cc(CCN)c(OC)cc1Br,DB01537,"4-Bromo-2,5-dimethoxyphenethylamine"
O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,DB12465,Ketanserin
COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1,DB12163,Sarpogrelate
COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C,DB12555,Nelotanserin
CCSc1cc(OC)c(CC(C)N)cc1OC,DB13940,"2,5-Dimethoxy-4-ethylthioamphetamine"
Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,DB12693,Ritanserin
CN(C)CCO[C@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C,DB06512,Deramciclane
CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F,DB12177,Eplivanserin
CN(C)CCc1c[nH]c2ccccc12,DB01488,Dimethyltryptamine
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1,DB05316,Pimavanserin
COc1cc(CCNCc2ccccc2O)c(OC)cc1C#N,DB13948,"N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine"
CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,DB08927,Amperozide
COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,DB16351,Volinanserin
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,DB01079,Tegaserod
Clc1cccc(N2CCNCC2)c1,DB12110,m-Chlorophenylpiperazine
COc1ccc2cccc(CCNC(C)=O)c2c1,DB06594,Agomelatine
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,DB00472,Fluoxetine
CCCCSc1ccc(C(SCCN(C)C)c2ccccc2)cc1,DB09014,Captodiame
CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,DB01191,Dexfenfluramine
C[C@H]1CNCCc2ccc(Cl)cc21,DB04871,Lorcaserin
CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O,DB06716,Fospropofol
C[S@@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,DB08521,4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine
Nc1n[nH]c2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12,DB07794,"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE"
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,DB04338,SB220025
O=C(NCc1ccccc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,DB07010,N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
CN(C)C(=O)c1cc(-c2n[nH]cc2-c2ccccc2)c[nH]1,DB06877,"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE"
O=C(N[C@H](CO)c1ccc(F)c(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1,DB07264,(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE
COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](C)OC2=O,DB07788,"(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE"
COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)C(=O)/C=C/C[C@H](C)OC2=O,DB07905,Hypothemycin
Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)OCCO3)C(C)(C)C)c1,DB07929,"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE"
Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C,DB01941,LG-100268
COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)O,DB08175,"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID"
C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O,DB08766,Zofenoprilat
N[C@H](CCc1ccccc1)[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O,DB07448,(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@H]2CC[C@H](c3cccnc3)CC2)cc1)C(F)(F)F,DB07619,"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide"
C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C(N)=O)CC3)CC2)cc1)C(F)(F)F,DB07316,"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide"
C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccc(F)cc1,DB07017,"(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one"
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1,DB07049,(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine
CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](S(C)(=O)=O)(C3)C2,DB08277,"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE"
CC(C)[C@H]1SC(Nc2ccccc2F)=NC1=O,DB08771,"(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one"
CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,DB02329,Carbenoxolone
C[C@H](NC1=NC(=O)[C@@](C)(C(F)(F)F)S1)c1ccccc1F,DB07310,"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one"
C[C@@H]1CN(CC2(C(N)=O)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1,DB07624,"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide"
CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O,DB07866,"(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one"
CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1,DB07056,"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide"
Cc1ccc(-c2cccc(C(=O)N3CCCC(C)(C)C3)n2)cc1F,DB06992,"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone"
COc1ccc(OC(C)(C)C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@@](C(N)=O)(C4)C3)cc1,DB08280,"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE"
O=P([O-])([O-])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,DB03542,L-Myo-Inositol-1-Phosphate
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],DB14507,Lithium citrate
CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,DB11757,Istradefylline
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,DB05009,Apadenoson
Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,DB14132,8-chlorotheophylline
CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,DB06213,Regadenoson
Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12,DB08770,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol"
OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,DB00358,Mefloquine
Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB04853,Binodenoson
Cn1cnc2c1c(=O)[nH]c(=O)n2C,DB01412,Theobromine
CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O,DB05936,CVT-6883
CCC(NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,DB06429,Talnetant
CC[C@H](NC(=O)c1c(NS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1,DB11692,Pavinetant
CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,DB04872,Osanetant
O=C(O)c1cc(S)ccc1[N+](=O)[O-],DB02763,5-Mercapto-2-Nitro-Benzoic Acid
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F,DB05408,Emricasan
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF,DB07744,Z-Val-Ala-Asp fluoromethyl ketone
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12,DB04875,Pralnacasan
O=C[C@H](CC(=O)O)NC(=O)[C@@H](CCCCNC(=O)c1ccc2cccc(O)c2n1)c1cccs1,DB07916,3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
Cn1nc(C(F)(F)F)c2cc(C(=O)NCCS)sc21,DB07733,"1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE"
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,DB09237,Levamlodipine
N=C(N)NCCCC[C@H](N)C(=O)O,DB03974,L-homoarginine
N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-],DB04223,Nitroarginine
CN(C)/C(N)=N/CCC[C@H](N)C(=O)O,DB01686,"N,N-dimethylarginine"
Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1,DB08019,"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine"
CC(=N)NCc1cccc(CN)c1,DB02044,N-[3-(aminomethyl)benzyl]acetamidine
CCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1,DB07388,ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
Nc1nc2c(c(=O)[nH]1)N1C(=O)OC[C@H]1CN2,DB03332,"5,6-Cyclic-Tetrahydropteridine"
N=C(N)SCCc1ccc(CCSC(=N)N)cc1,DB02141,"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea"
CS/C(N)=N/CCCCCCCCCCCCCC/N=C(\N)SC,DB02979,"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane"
C[C@@H](O)[C@@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1,DB03918,"6S-5,6,7,8-Tetrahydrobiopterin"
N=C(NCCC[C@H](N)CNCCN)N[N+](=O)[O-],DB02027,N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine
Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1,DB08018,"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE"
N=C(NCCC[C@H](N)C(=O)N[C@@H](CCN)C(N)=O)N[N+](=O)[O-],DB01821,"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide"
N=C(N)SCCc1cccc(CCSC(=N)N)c1,DB03910,"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea"
N=C(N)n1cc2cccc([N+](=O)[O-])c2n1,DB03065,7-Nitroindazole-2-Carboxamidine
NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1,DB02077,L-N(omega)-nitroarginine-(4R)-amino-L-proline amide
Nc1nc(N)c2c(n1)NC[C@@H](c1ccccc1)N2,DB02911,"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine"
CCC[C@H]1COc2ccsc2C(N)=N1,DB07001,"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine"
O=[N+]([O-])c1cccc2c(Br)n[nH]c12,DB01997,3-Bromo-7-Nitroindazole
CCS/C(N)=N/c1ccc(C(F)(F)F)cc1,DB02991,S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea
CCC/C(N)=N\CCC[C@H]([NH3+])C(=O)O,DB03710,[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium
N/C(=N\c1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1,DB03449,N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
C=CCN/C(N)=[NH+]/CCC[C@H](N)C(=O)O,DB03892,5-N-Allyl-arginine
CCC/[NH+]=C(\N)NCCC[C@H](N)C(=O)O,DB02644,N-omega-propyl-L-arginine
[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,DB16650,Deucravacitinib
Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C,DB04345,Lumichrome
CCC1=C(C)C(=O)N/C1=C\C1=N/C(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(CCC(=O)O)c2C)C(C)=C1CCC(=O)O,DB04363,Mesobiliverdin IV alpha
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,DB00140,Riboflavin
CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB02563,Hexanoyl-CoA
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB03059,Acetoacetyl-CoA
CN(C)c1ccc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,DB04117,"4-(N,N-Dimethylamino)cinnamoyl-CoA"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,DB03664,P1-(adenosine-5'-P5-(uridine-5')pentaphosphate
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1,DB03403,Cytidine-5'-Monophosphate
COc1ccccc1-c1cc2c(c3c1C(=O)NC3=O)c1cc(O)ccc1n2CCCO,DB07006,"9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE"
Cn1c(C(=O)NCCO)c(Br)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,DB08365,"8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide"
O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21,DB04608,"9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE"
C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1,DB11740,MK-1775
Cn1cc(CCO)c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,DB07257,"4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione"
O=C(O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O,DB07265,"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID"
O=CNc1ccc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=O,DB07226,"N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE"
Cc1cc(=O)oc2cc(N)ccc12,DB08168,Coumarin 120
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(=N)N)cc4)c3Cl)c2n1,DB05038,Anatibant
Cc1c(C(=O)c2nccn2C)oc2cccc(OCCCNCc3cccnc3)c12,DB03062,(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone
Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2,DB00872,Conivaptan
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,DB00618,Demeclocycline
CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21,DB05838,OPC-51803
CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1,DB09059,Atosiban
Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1,DB06212,Tolvaptan
C[C@H](O)c1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nn1-c1cccc(Cl)c1,DB16279,Pecavaptan
Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,DB00906,Tiagabine
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,DB01178,Chlormezanone
CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O,DB12569,Tonapofylline
OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O,DB04954,Tecadenoson
CCCn1c(=O)c2[nH]c(C34C[C@@H]5CC3C[C@@H](C5)C4)nc2n(CCC)c1=O,DB12670,Rolofylline
CCCC1C(=O)c2nc([C@H]3C[C@H]4C[C@@H]3[C@@H]3O[C@H]43)[nH]c2N(CCC)C1=O,DB06471,Naxifylline
CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1,DB01347,Saprisartan
CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,DB00966,Telmisartan
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C,DB00177,Valsartan
CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,DB08822,Azilsartan medoxomil
CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)n1,DB01342,Forasartan
CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,DB13919,Candesartan
Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CC2,DB01349,Tasosartan
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,DB00796,Candesartan cilexetil
CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,DB00275,Olmesartan
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,DB00678,Losartan
CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,DB09279,Fimasartan
CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1,DB00876,Eprosartan
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,DB01282,Carbetocin
COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC,DB13929,Relcovaptan
O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,DB04551,"beta-D-fructofuranose 1,6-bisphosphate"
CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1,DB11732,Lasmiditan
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,DB11979,Elagolix
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1,DB11853,Relugolix
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,DB06494,Sufugolix
COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F,DB17083,Linzagolix
COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,DB09270,Ubidecarenone
CC1=C(C(=O)Nc2ccccc2)SCCO1,DB04657,Carboxin
NC(=O)N[C@@H](CCC(=O)O)C(=O)O,DB06775,Carglumic acid
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,DB09038,Empagliflozin
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,DB06292,Dapagliflozin
Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,DB08907,Canagliflozin
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1,DB11827,Ertugliflozin
CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,DB00215,Citalopram
CNCCC(Oc1ccccc1OC)c1ccccc1,DB09186,Nisoxetine
COc1cccc2c1CCC(=O)N2CCCN1CCN(c2cccc(Cl)c2)CC1,DB05422,OPC-14523
COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,DB00176,Fluvoxamine
Clc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12,DB07585,"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine"
Cc1nnc(-c2ccccc2Nc2ncnc3[nH]ccc23)[nH]1,DB07584,"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine"
NC[C@@H](NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,DB07812,"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide"
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N,DB01700,AICA ribonucleotide
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1/C=C/C(=O)N(Cc1ccc2[nH]c(N)nc(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DB04057,"N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid"
Cc1cc(S(=O)(=O)O)ccc1-n1nc(C)c(/N=N/c2cc(S(=O)(=O)O)ccc2C(=O)O)c1O,DB03442,Acid yellow 54 free acid
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O,DB03158,"D-Myo-Inositol-1,4-Bisphosphate"
O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21,DB04867,Lintitript
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,DB04856,Dexloxiglumide
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,DB00183,Pentagastrin
COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2,DB05710,Gantacurium
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,DB01090,Pentolinium
CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,DB01227,Levacetylmethadol
O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,DB15694,Cedazuridine
O=C1NC=CC=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DB03185,"1-Beta-Ribofuranosyl-1,3-Diazepinone"
Cc1ccc(N2CCNCC2)c(S(=O)(=O)O)c1,DB06231,Caldaret
COc1ccc(-c2c(S(C)(=O)=O)ccc(C(=O)c3cnn(C(C)(C)C)c3O)c2C)cc1,DB02850,DAS869
O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],DB00348,Nitisinone
O=C(O)CSc1nc(-c2cccc(Cl)c2)no1,DB03928,"Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol"
Cc1ncc(COP(=O)(O)O)c(C/N=C(\C=C\CP(=O)(O)O)C(=O)O)c1O,DB02328,2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid
Cc1ccc(S(=O)(=O)N(C)c2ccnn2-c2ccccc2)cc1,DB07670,"N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide"
O=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,DB03413,Deoxyuridine-5'-Diphosphate
O=c1ccn([C@H]2C[C@H](F)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1,DB04685,"1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE"
O=C1c2ccccc2-c2n[nH]c3cccc1c23,DB01782,Pyrazolanthrone
CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1,DB15498,BOS172722
Nc1nc2c(c(=O)[nH]1)N(CO)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C=N2,DB02800,"5-hydroxymethyl-5,6-dihydrofolic acid"
Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)N2C=O,DB02067,Triglu-5-formyl-tetrahydrofolate
CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1,DB04903,Pagoclone
CCCNC(=O)c1nnc2c(-c3c(F)cccc3OC)cccc2c1N,DB13994,AZD-7325
O=C(O)CCCCCNC(=O)NC1CCCCC1,DB08258,6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID
O=c1c2ccccc2[se]n1-c1ccccc1,DB12610,Ebselen
O=C(O)CCCNC(=O)NC1CCCCC1,DB08257,4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID
O=C(O)CCCCCCNC(=O)NC1CCCCC1,DB08259,7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID
CCCCCCCCCCNC(=O)NC1CCCCC1,DB03677,N-Cyclohexyl-N'-Decylurea
CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,DB06345,AR-9281
O=C(O)CNC(=O)NC1CCCCC1,DB08256,N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE
O=C(NCCCc1ccccc1)NC1CCCCC1,DB04213,N-Cyclohexyl-N'-(Propyl)Phenyl Urea
O=C(Nc1ccc(I)cc1)NC1CCCCC1,DB02029,N-Cyclohexyl-N'-(4-Iodophenyl)Urea
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,DB13988,SB-269970
CCc1c(C)cc(C(=O)NC2(C(=O)O)CCCCC2)c(=O)n1Cc1ccc(F)cc1,DB16321,S-777469
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,DB09421,Protirelin
CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,DB00929,Misoprostol
CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1,DB15071,Omidenepag isopropyl
CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,DB00297,Bupivacaine
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,DB00917,Dinoprostone
CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O,DB09211,Limaprost
CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO,DB00429,Carboprost tromethamine
COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)c1,DB16315,Rivenprost
CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O,DB00905,Bimatoprost
NC(=[NH2+])c1ccc(COB2OCCO2)cc1,DB04109,"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine"
NC(N)=[NH+]CCCOB1OCCO1,DB03129,"Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium"
c1cn(-c2ccc(Oc3nccc(Oc4ccc5c(c4)OCO5)n3)cc2)cn1,DB07008,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE"
CCOC(=O)N1CCC(Nc2cc(Cl)ccn2)CC1,DB07306,ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE
CN(C)CCCOc1cc(=O)sc2ccccc12,DB02462,Thiocoumarin
C/C(N)=N\CC[C@H](F)C[C@H](N)C(=O)O,DB01835,4R-Fluoro-N6-ethanimidoyl-L-lysine
Cc1cc(N2CCC[C@@H]2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1,DB06916,"N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE"
Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2)n1,DB07029,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE"
NCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1,DB08750,"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE"
[O-][n+]1ccccc1SSc1cccc[n+]1[O-],DB11327,Dipyrithione
NC1=N[C@H](COc2ccc3c(c2)CNCC3)COc2ccsc21,DB07007,"(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine"
CCN1c2c(F)ccc(F)c2C(N)=NC12CCN(C(=O)C1=CN=C(C#N)CC1)CC2,DB06879,"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE"
NC1=N[C@H](CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c21,DB07318,"N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE"
COc1ccnc(NC2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1,DB07002,4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
Cc1cc(N)nc(CCNC(=O)c2ccc(C#N)cc2)c1,DB07389,N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
c1cn(-c2ccc(O[C@H]3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1,DB07011,"(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE"
CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1,DB05252,Fenoxaprop-ethyl
N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1,DB07405,"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE"
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(N)=O)[C@H]3c2ccccc2)cc1,DB15496,Didesmethylrocaglamide
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1,DB15495,Rocaglamide
CC(=O)NCCc1c[nH]c2ccc(O)cc12,DB04275,N-acetylserotonin
CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,DB09205,Moxisylyte
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-],DB09229,Aranidipine
O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21,DB11577,Indigotindisulfonic acid
C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,DB01253,Ergometrine
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1,DB09239,Niguldipine
CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13,DB00699,Nicergoline
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,DB08950,Indoramin
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1,DB03477,1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole
C=CCOc1ccc(CC(=O)O)cc1Cl,DB13167,Alclofenac
COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F,DB05095,Cimicoxib
CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1,DB09217,Firocoxib
CCCCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2)OO,DB03866,Prostaglandin G2
Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,DB01628,Etoricoxib
O=C(O)CCCN1CCC(OC(c2ccc(Cl)cc2)c2ccccn2)CC1,DB04890,Bepotastine
CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,DB01237,Bromodiphenhydramine
CN(C)CCC(c1ccccc1)c1ccccn1,DB01620,Pheniramine
CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,DB01615,Aceprometazine
Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,DB00427,Triprolidine
CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,DB00902,Methdilazine
c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,DB01071,Mequitazine
CN1CCN(C(c2ccccc2)c2ccccc2)CC1,DB01176,Cyclizine
CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,DB00950,Fexofenadine
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,DB00455,Loratadine
CC(CN(C)C)CN1c2ccccc2Sc2ccccc21,DB01246,Alimemazine
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,DB00912,Repaglinide
CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,DB09555,Dexchlorpheniramine maleate
CC(CN1c2ccccc2Sc2cccnc21)N(C)C,DB08802,Isothipendyl
O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,DB00341,Cetirizine
CN(C)CCN(Cc1ccccc1)c1ccccn1,DB00792,Tripelennamine
CN1CCC(OC(c2ccccc2)c2ccccc2)CC1,DB01146,Diphenylpyraline
CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1,DB08800,Chloropyramine
c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,DB08799,Antazoline
CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,DB00920,Ketotifen
COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,DB06691,Mepyramine
Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1,DB09488,Acrivastine
Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,DB00737,Meclizine
CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1,DB00719,Azatadine
CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,DB04837,Clofedanol
Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,DB00967,Desloratadine
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,DB08936,Chlorcyclizine
CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1,DB00405,Dexbrompheniramine
CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12,DB01619,Phenindamine
CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1,DB06766,Alcaftadine
CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21,DB01084,Emedastine
CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,DB00283,Clemastine
OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,DB00557,Hydroxyzine
O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,DB06282,Levocetirizine
CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21,DB11591,Bilastine
CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1,DB00748,Carbinoxamine
CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2nc(Cl)[nH]c2n(C)c1=O,DB00985,Dimenhydrinate
NC(=O)CS(=O)C(c1ccccc1)c1ccccc1,DB00745,Modafinil
CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1C,DB01571,3-Methylfentanyl
CCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,DB09173,Butyrfentanyl
COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,DB00956,Hydrocodone
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,DB00921,Buprenorphine
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1,DB00708,Sufentanil
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,DB00704,Naltrexone
C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N,DB01209,Dezocine
CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C,DB00652,Pentazocine
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,DB00854,Levorphanol
CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1,DB00913,Anileridine
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,DB01192,Oxymorphone
NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3,DB12543,Samidorphan
CCCC(C)(O)C1C[C@@]23C=CC1(OC)C1Oc4c(O)ccc5c4[C@@]12CCN(C)[C@@H]3C5,DB01497,Etorphine
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,DB06230,Nalmefene
CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,DB01081,Diphenoxylate
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,DB00802,Alfentanil
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,DB00295,Morphine
C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,DB06800,Methylnaltrexone
CCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,DB01466,Ethylmorphine
CCC(=O)C1(c2cccc(O)c2)CCN(C)CC1,DB06738,Ketobemidone
CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1,DB11691,Naldemedine
COCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,DB14146,Loxicodegol
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1,DB01535,Carfentanil
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,DB00504,Levallorphan
CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,DB01548,Diprenorphine
CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,DB09209,Pholcodine
C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,DB06274,Alvimopan
COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O,DB09272,Eluxadoline
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,DB12668,Metenkefalin
CC(C=C(c1cccs1)c1cccs1)N(C)C,DB01444,Dimethylthiambutene
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1,DB00899,Remifentanil
Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,DB00611,Butorphanol
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,DB00497,Oxycodone
COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1,DB14881,Oliceridine
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,DB11186,Pentoxyverine
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)CC[C@H]3[C@H]1C5,DB01565,Dihydromorphine
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,DB00318,Codeine
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1C,DB01439,3-Methylthiofentanyl
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@H]3[C@H]1C5,DB06409,Morphine glucuronide
Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,DB00844,Nalbuphine
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5,DB09049,Naloxegol
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,DB00327,Hydromorphone
CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,DB01433,Methadyl acetate
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01990,Cholesterol sulfate
CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1,DB12836,Grapiprant
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,DB07358,"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide"
Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F,DB08210,"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE"
CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1,DB08118,"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide"
Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1,DB07359,"3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide"
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB03725,5'-Guanylylmethylenebisphosphonate
C=CCn1c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc2n(CCCC)c1=O,DB03267,1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine
CCCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21,DB02008,1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,DB08995,Diosmin
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,DB12116,Epigallocatechin gallate
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1,DB00338,Omeprazole
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,DB01097,Leflunomide
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,DB07715,Emodin
COC(=O)Nc1nc2ccccc2[nH]1,DB13009,Carbendazim
O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21,DB16862,Indigo
Cc1cccc(C)c1OCC(C)N,DB00379,Mexiletine
O=C(O)c1cc(=O)c2ccccc2[nH]1,DB11937,Kynurenic Acid
CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O,DB06083,Tapinarof
C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1,DB12328,Cantharidin
COc1cc(Nc2nccc(N(C)c3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC,DB08042,"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine"
COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)cc1,DB04727,"1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea"
COc1ccc(S(=O)(=O)NCC2CC2)cc1Nc1ncc(-c2cccc(-c3cccnc3)c2)o1,DB07333,"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE"
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,DB07326,"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide"
COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC,DB07274,"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide"
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1,DB07183,N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide
CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH]c3c2)ccn1,DB06938,4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(-c4ccccn4)c3)o2)c1,DB07334,"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE"
Cc1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1,DB07528,3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one
Cc1ccn(-c2ccc3c(c2)NCC3(C)C)c(=O)c1-c1ccc2nc(N)ncc2c1,DB07514,"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one"
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,DB04849,Cediranib
COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC,DB08519,"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine"
Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1,DB07537,"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide"
Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,DB06436,Semaxanib
CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1,DB08911,Trametinib
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,DB11689,Selumetinib
COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC)c1,DB05708,GTS-21
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1,DB11726,Encenicline
CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1,DB05137,Lobeline
C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C,DB02169,"9,10-Deepithio-9,10-Didehydroacanthifolicin"
C/C=C1/C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C,DB04738,Motuporin
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1,DB05465,Tandutinib
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,DB12874,Quizartinib
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,DB06469,Lestaurtinib
CC(=O)Nc1nc(-c2ccc(F)c(C)n2)c(-c2ccc3nccnc3c2)[nH]1,DB07152,N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide
Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1,DB08450,N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,DB04480,"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole"
c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,DB03921,4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline
Cc1cccc(C2=C(c3ccc4ncccc4n3)CNN2)n1,DB04434,Naphthyridine Inhibitor
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,DB07267,2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,DB00384,Triamterene
O=c1c(-c2ccccc2)coc2ccccc12,DB12007,Isoflavone
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,DB09201,Ciglitazone
CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O,DB04270,(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,DB00731,Nateglinide
CCCCC/C=C\C=C\[C@@H](O)CCCCCCCC(=O)O,DB07302,9(S)-HODE
CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1,DB05187,Elafibranor
CCCCCCCCc1ccc2n1[B-](F)(F)[N+]1=C(CCCCC(=O)O)C=CC1=C2,DB07509,difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron
Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1,DB14034,Darglitazone
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2C(=O)NOC2=O)cc1,DB04971,Reglitazar
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl,DB05490,AMG-131
CCO[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O,DB06533,Ragaglitazar
COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1,DB07724,Indeglitazar
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2cc(C(=O)c3ccccc3)ccc12,DB04689,2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1,DB09198,Lobeglitazone
CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,DB06536,Tesaglitazar
COc1ccc2[nH]cc(CCC(=O)O)c2c1,DB07723,3-(5-methoxy-1H-indol-3-yl)propanoic acid
CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1,DB11811,Arhalofenate
CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O,DB09006,Clinofibrate
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O,DB07675,(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID
CCCCC/C=C/C=C1\C(=O)C=C[C@@H]1C/C=C/CCCC(=O)O,DB08435,"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid"
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,DB08121,(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
CCCCC/C=C\C/C=C\[C@H](O)CC(=O)CCCCC(=O)O,DB07209,"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid"
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12,DB07053,2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID
CCc1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,DB07842,(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,DB01067,Glipizide
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1,DB08760,(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCC(=O)O,DB07111,"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid"
CCCCC/C=C\C[C@H](O)/C=C/CC(=O)CCCCC(=O)O,DB07208,"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid"
O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,DB01252,Mitiglinide
CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3Cl)oc2C)c1)C(=O)O,DB06908,"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID"
CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,DB08915,Aleglitazar
CO[C@@H](Cc1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O,DB12662,Naveglitazar
O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1,DB08560,3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,DB06510,Muraglitazar
CCC/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)[N+](=O)[O-],DB08302,3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CCCC(=O)O,DB07172,"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid"
CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O,DB06926,"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid"
COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,DB01125,Anisindione
CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,DB01022,Phylloquinone
CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)C([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,DB06734,Bafilomycin B1
CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,DB06733,Bafilomycin A1
O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1,DB06354,Tezampanel
CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O,DB07446,N-(biphenyl-4-ylsulfonyl)-D-leucine
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1ccccc12)C(=O)O,DB07683,"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine"
O=NC(=O)CNS(=O)(=O)c1ccccc1,DB07922,N-oxo-2-(phenylsulfonylamino)ethanamide
O=NC(=O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1,DB07920,N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide
O=C(NCc1ccc(-c2ccccc2)cc1)[C@@H]1O[C@H]2CN(C(=O)NO)C[C@@H]1O2,DB07026,"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE"
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1,DB08599,N-[(4-methoxyphenyl)sulfonyl]-D-alanine
CCOc1ccc(-c2ccc(C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O)cc2)cc1,DB04405,"2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid"
O=NC(=O)CNS(=O)(=O)c1ccc(F)cc1,DB07921,2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
CN1c2ccc([C@H]3CN(Cc4ccccc4)C(=O)CO3)cc2CS1(=O)=O,DB02118,CP-271485
O=C(O)C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)cs1)c1ccccc1,DB03367,PF-00356231
CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC,DB13125,Lusutrombopag
O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1,DB11995,Avatrombopag
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,DB06210,Eltrombopag
COc1cc2c(cc1C(N)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12,DB05959,ENMD-1198
CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,DB05104,Asimadoline
CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc1ccncc1,DB05155,CR665
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1,DB11938,Difelikefalin
CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N,DB05695,NPS-2143
C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,DB01012,Cinacalcet
CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F,DB05255,Ronacaleret
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1,DB04983,Denufosol
NC(=O)c1cn(Cc2c(F)cccc2F)nn1,DB06201,Rufinamide
Fc1ccc2nc(CCC#Cc3ccccn3)cn2c1,DB12733,Dipraglurant
N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F.O=C(O)/C=C/C(=O)O,DB05607,PRX-08066
CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1,DB11758,Cenicriviroc
O=C(c1ccc2nccnc2c1)N1CCCCC1,DB06247,CX516
N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O,DB08883,Perampanel
CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3,DB04982,Talampanel
N[C@@H](Cn1oc(=O)[nH]c1=O)C(=O)O,DB02999,Quisqualic acid
O=C1c2cc3c(cc2O[C@@H]2CCCN12)OCCO3,DB07598,"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE"
C[C@@H](CNS(C)(=O)=O)c1ccc(-c2ccc([C@@H](C)CNS(C)(=O)=O)cc2)cc1,DB07455,"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide"
Cc1onc(O)c1C[C@H](N)C(=O)O,DB02057,(S)-AMPA
NOC(=O)CCn1ccc(=O)[nH]c1=O,DB04129,Willardiine
N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)O,DB03240,"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid"
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O,DB03759,FG-9041
CN1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@@H](C2CCCC2)C3)CC1,DB08304,"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide"
N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O,DB04000,Bromo-Willardiine
Cc1cc2c(cc1S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N[C@@H](C1CCCC1)C2,DB08305,"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide"
CC(C)(C)c1onc(OCP(=O)(O)O)c1C[C@H](N)C(=O)O,DB02347,2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid
N[C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)O,DB04152,"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid"
CC(C)(C)c1onc([O-])c1C[C@H](N)C(=O)O,DB03319,"(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate"
N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O,DB02966,Fluoro-Willardiine
Cc1cc2c(cc1S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N[C@@H](C1CCCC1)N2,DB08303,"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide"
N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O,DB02818,Iodo-Willardiine
CC(C)(C)c1snc([O-])c1C[C@H]([NH3+])C(=O)O,DB04798,THIO-ATPA
CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(C(N)=O)ccc5[C@H]4CC[C@@]32C)OC1=O,DB07700,"3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran"
CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,DB02056,Prostaglandin D2
COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1,DB11772,Pilaralisib
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1,DB12015,Alpelisib
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)=O,DB07696,methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,DB12709,Tributyrin
CC(=O)O[C@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1,DB08497,"(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate"
CC(=O)O[C@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1cccc(Cl)c1,DB08498,"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate"
NN(CC(=O)O)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc1ccccc1,DB08229,[N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid
O=C[C@H](CC(=O)O)NC(=O)c1cncc(-c2ccc(C(=O)O)cc2)c1,DB08251,4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,DB08213,"1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE"
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O,DB13048,PAC-1
O=C(O)c1cc(S(=O)(=O)NCCS)ccc1O,DB06862,2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)Nc1cccc(OCCF)c1,DB08499,"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide"
CC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)cc1,DB03124,5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F,DB07664,K-00546
OCCCCC(CCO)CCCCO,DB07171,"5-(2-hydroxyethyl)nonane-1,9-diol"
CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O,DB08819,Tafluprost
O=C(CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)OCCCCO[N+](=O)[O-],DB11660,Latanoprostene bunod
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO,DB01160,Dinoprost tromethamine
CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O,DB00287,Travoprost
CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O,DB00654,Latanoprost
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC,DB08964,Gemeprost
CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O,DB00374,Treprostinil
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O,DB01240,Epoprostenol
CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,DB11362,Selexipag
CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O,DB05229,Beraprost
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(Br)cc1,DB04234,N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide
CN1CCN(c2ccc(Cc3cc4cnc(CN)nc4n3C3CCCCC3)cc2)CC1,DB07563,"1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine"
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(C#N)C1,DB03456,N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O,DB03405,N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide
CCCC[C@@H](C=O)NC(=O)OC1(Cc2ccccc2)CCCC1,DB07593,1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,DB03642,N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide
CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(C#N)nc32)CC1,DB07965,6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,DB06367,Relacatib
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,DB03891,"Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate"
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NCCN,DB08270,"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE"
CCCC[C@@H](C=O)NC(=O)O[C@H](Cc1ccccc1)C(C)C,DB07592,(2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate
CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1,DB12239,Balicatib
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1,DB06670,Odanacatib
N#Cc1nc(Nc2ccccc2OCCCn2ccnc2)c2ncn(C3CCCC3)c2n1,DB07967,9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE
CC(C)C[C@@H](C(=O)NC[C@@H](O)CNS(=O)(=O)c1ccccn1)c1cccc(-c2ccccc2)c1,DB04244,(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide
CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1,DB01858,[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate
COc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN)cc1,DB08287,"(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide"
CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1,DB04523,Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate
c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1,DB12121,Entospletinib
Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(=O)NC(C)(C)CO)ccc21,DB06834,"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide"
Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C(=O)N[C@@H](C)CO)s3)n2)c1,DB07194,"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide"
Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1,DB08361,"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide"
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC,DB07159,Tamatinib
O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1,DB12731,Daporinad
N#CN/C(=N\c1ccncc1)NCCCCCCOc1ccc(Cl)cc1,DB12980,CHS-828
Cc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C)c3)ncn2)c1,DB04759,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)"
Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C#CCc3ccccc3)ccc21,DB07827,"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID"
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(C(=O)OC(C)(C)C)CC2)cc1,DB07013,TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE
O=C(OCc1ccccc1)c1cn2c(=O)n(Cc3ccccc3)c(=O)cc2s1,DB08561,"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE"
O=C(CC1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1)NO,DB02049,2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide
CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O,DB08388,"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE"
O=C(NCc1cccnc1)c1cc(C(=O)NCc2cccnc2)ncn1,DB04761,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]"
Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F,DB04760,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)"
COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C)cccc2C(=O)NO)cc1,DB02071,WAY-151693
O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,DB08490,CTS-1027
CCOc1nc(C(=O)NCc2cc(OC)ccc2OC)ccc1C#N,DB07276,"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE"
CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N,DB07272,"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE"
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,DB07268,2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE
Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O,DB07218,"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE"
COc1cc(CS(C)(=O)=O)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1,DB07845,"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide"
O=C(Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1)c1ccco1,DB07020,"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide"
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,DB00713,Oxacillin
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,DB00415,Ampicillin
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,DB01053,Benzylpenicillin
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,DB00417,Phenoxymethylpenicillin
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1,DB01212,Ceftriaxone
Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O,DB04885,Cilansetron
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2,DB11699,Tropisetron
O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,DB00377,Palonosetron
COc1c(C(=O)NC2CCN3CCCC2C3)ccc(N)c1Cl,DB04917,Renzapride
CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(C)c3ccccc13)C2,DB00889,Granisetron
Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21,DB09290,Ramosetron
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@H]1OC,DB06422,Ticalopride
Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O,DB00969,Alosetron
O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12,DB00757,Dolasetron
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2,DB06311,Darapladib
N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,DB01685,Topiroxostat
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,DB04854,Febuxostat
CC(C)(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N,DB03841,Niraxostat
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2,DB09071,Tasimelteon
CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,DB00980,Ramelteon
CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,DB00414,Acetohexamide
CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,DB00222,Glimepiride
COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,DB01382,Glymidine
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,DB01124,Tolbutamide
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,DB08954,Ifenprodil
O=C([C@@H]1C=Cc2c(Cl)nc(OCc3ccc(F)cc3)c(=O)n21)N1CCCC1,DB07148,"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one"
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,DB03535,Z-Pro-Prolinal
O=C([C@@H]1CC(F)(F)CN1C(=O)CCN1C(=O)c2ccccc2C1=O)N1CCCC1,DB08739,"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione"
O=C([C@@H]1CCCN1C(=O)CCn1c(=O)c(-c2ccccc2)nc2ccccc21)N1CCCC1,DB08738,1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one
C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,DB02016,R048-8071
CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,DB03696,Lanosterol
CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,DB13874,Enasidenib
O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1,DB07503,"(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE"
CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1,DB06836,"N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide"
Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21,DB08300,"1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
CC1(C)CC(=O)c2sc(N3CCOCC3)nc2C1,DB07073,"5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one"
O=C1NC(=O)/C(=C/c2ccc3nccnc3c2)S1,DB04769,"5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE"
O=C(O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1,DB08949,Inositol nicotinate
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,DB08358,"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"
Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,DB07430,"(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one"
O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21,DB07728,"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE"
C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCCN(C)C)cs4)cc3c21,DB07406,"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE"
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1,DB07234,"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione"
Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].Cc1occc(=O)c1[O-].[Fe+3],DB15598,Ferric maltol
N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H](NCc3cncn3C2)C1=O,DB08674,"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE"
CC(C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)P(=O)(O)O,DB07895,ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
N#C[C@H]1CC=C2CC1Oc1ccc3cccc(c3c1)N1CC[C@H](NCCc3cncn3C2)C1=O,DB08676,"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE"
Cn1cncc1[C@H](OCc1nc(Cl)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1,DB06953,2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE
CS(=O)(=O)N1CCC([C@H]2c3ccc(Cl)cc3C(N3CCNCC3)=Cc3cccnc32)CC1,DB07216,"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE"
NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1,DB06448,Lonafarnib
N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1,DB07227,L-778123
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O,DB08180,2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE
Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C,DB04960,Tipifarnib
CCOC(=O)c1c(/C(C#N)=C\N)c2ccc(Cl)c(Cl)c2n1C,DB08691,"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate"
NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]ccc32)N1,DB04367,Debromohymenialdisine
Nc1ncnc2c1ncn2C1OC(CO[W](=O)(O)O[W](=O)(O)O)C(O)C1O,DB02183,Adenosine-5'-ditungstate
CCNS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,DB02162,5'-O-(N-Ethyl-Sulfamoyl)Adenosine
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,DB03349,8-Bromo-Adenosine-5'-Monophosphate
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O[P@](O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,DB04389,Ado-P-Ch2-P-Ps-Ado
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[W](=O)(O)O)[C@H](O)[C@H]1O,DB02373,Adenosine monotungstate
Cn1cc(C2=C(c3cccc(NC[C@H](O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21,DB01772,"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione"
O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1,DB12129,Tideglusib
COc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1F,DB07014,"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole"
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,DB07149,"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one"
O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\O,DB03444,6-bromoindirubin-3'-oxime
COc1ccc(-n2cnc3ccc(-c4n[nH]c(=S)o4)cc32)cc1,DB07058,"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione"
O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(Cl)c(C(=O)O)c1,DB01793,SB-409513
O=C1N=c2ccccc2=C1c1[nH]c2ccccc2c1NOCC[C@H](O)CO,DB07676,"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one"
COc1ccc(CNC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,DB01950,AR-AO-14418
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](C)O,DB08038,"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,DB02902,3'-phospho-5'-adenylyl sulfate
Oc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl,DB03346,"3,3',5,5'-tetrachlorobiphenyl-4,4'-diol"
COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2,DB16266,Olodanrigan
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,DB00613,Amodiaquine
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1,DB04655,Metoprine
COc1ccc2c3c([nH]c2c1)C(C)=NCC3,DB13875,Harmaline
COc1cc(Cl)cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)c1OC.Cl,DB05993,PRX-07034
COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br,DB06140,SUVN-502
CC(C)SCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1,DB07377,"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE"
CO[C@@H]1[C@H](OC(=O)N[C@@H](C(N)=O)C(C)C)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C,DB05864,PPI-2458
Cc1cnc2c(c1)c(C)c(C)c1cc(C)c[n+](C)c12,DB02310,"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium"
O=C(O)c1c(NS(=O)(=O)c2ccccc2)ccc2c1CCCC2,DB07322,"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID"
O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1,DB07309,5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C,DB02640,Fumagillin
CO[C@@H]1C(=O)CC[C@@](C)(O)[C@@]1(O)[C@@]1(C)O[C@@H]1CC=C(C)C,DB04324,Ovalicin
Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1,DB07313,5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID
CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C,DB08633,TNP-470
CN(C)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2,DB07323,"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID"
Cc1ccc(NNC(=O)[C@@H](O)[C@H](N)CC2CCCCC2)cc1,DB03086,"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide"
CCSCC[C@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12,DB04108,"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide"
CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1C,DB07746,3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
O=[N+]([O-])c1ccc(O)c2ncccc12,DB01422,Nitroxoline
CO[C@@H](C(=O)N[C@H]1CC[C@@H](O)CNC1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C,DB03396,"(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide"
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,DB00121,Biotin
CCCCCCCCCCCCCCCCS(=O)(=O)F,DB02035,Hexadecanesulfonyl fluoride
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,DB02691,Glycocholic acid
O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,DB03956,"Inositol 2,4,5-trisphosphate"
CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB03192,(R)-3-hydroxydecanoyl-CoA
CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,DB12960,INCB-9471
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21,DB05501,AMD-070
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,DB06652,Vicriviroc
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,DB06497,Aplaviroc
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,DB04835,Maraviroc
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1,DB15250,Vercirnon
CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,DB05514,Cobiprostone
CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,DB01046,Lubiprostone
CNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C,DB07180,"5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide"
CN(C)/N=N/c1[nH]cnc1C(N)=O,DB00851,Dacarbazine
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CCN(CC(=O)[O-])CC(=O)O.[Gd+3],DB00789,Gadopentetic acid
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4c(Br)nc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB03962,Nicotinamide 8-bromo-adenine dinucleotide phosphate
C#CCOc1ccc(Nc2nc(Nc3ccc(C)c(S(=O)(=O)NC(=O)CC)c3)ncc2F)cc1,DB06321,R-348
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CCNCC1,DB08239,"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE"
Cc1ccc2c(c1C)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1,DB07064,"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE"
CN1CC[C@H](N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@@]2(CO)c2ccccc2)[C@H](F)C1,DB08037,MK-0731
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1,DB08246,"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE"
CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1,DB03996,"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol"
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)CC2,DB08033,"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE"
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1,DB04331,Monastrol
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C,DB08198,"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE"
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,DB08032,"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE"
N[C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1,DB08244,"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE"
CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1,DB06040,Filanesib
CCNC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN)c1ccccc1,DB08250,"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE"
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,DB01586,Ursodeoxycholic acid
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O,DB07768,Epitestosterone
Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4ncn[nH]4)ncn3)s2)c(C(F)(F)F)o1,DB07789,"1-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea"
Cc1nn(-c2cccc(CCC(N)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,DB06963,"3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide"
C[C@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1,DB06897,"3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol"
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C,DB12062,Volasertib
Nc1cc2c(nn1)-c1ccccc1CC2,DB04069,"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine"
Cc1ccc2c(c1)c1c3c(c(C)cc1n2CCCN)C(=O)NC3=O,DB07444,"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE"
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O,DB11936,Bempedoic acid
CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1,DB07902,"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE"
Cc1nc(-c2ccccn2)nc(NCCc2ccccc2)c1Cl,DB07901,5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1,DB07903,"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE"
CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@@H]1C[C@H](C(=O)OOC)[C@]5(C)O1)CNC3=O,DB05403,CEP-1347
Oc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1,DB03623,"9-(4-Hydroxyphenyl)-2,7-Phenanthroline"
CCNC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1,DB08005,4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CCCn1c(C2CCNCC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CCCCC2)n1,DB02388,"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine"
O=C1/C(=N\O)c2c(-c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,DB08015,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime"
N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2,DB07217,"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide"
O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,DB08010,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime"
CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1,DB06933,N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1,DB08023,"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine"
CNC(=O)CN1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1,DB08026,"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide"
CCCn1c(C2CCN(C)CC2)nc(-c2ccc(Cl)c(Cl)c2)c1-c1ccnc(NC2CC2)n1,DB03084,"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine"
O=C1/C(=N/O)c2cc(F)ccc2N1Cc1cc(F)cc2c1OCOC2,DB08011,"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime"
C#CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1,DB08021,5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
COc1cc2c(cc1Cl)C(c1cccc(Br)c1)=NCC2,DB08555,"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline"
CO[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1,DB08025,"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE"
Nc1nnc(Sc2ncc([N+](=O)[O-])s2)s1,DB15624,Halicin
COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,DB01388,Mibefradil
COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,DB06712,Nilvadipine
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,DB01054,Nitrendipine
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,DB00270,Isradipine
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],DB00401,Nisoldipine
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,DB00308,Ibutilide
CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C,DB08872,Gabapentin enacarbil
CCCCCCCCCC[N+](C)(C)[O-],DB02613,Capric dimethyl amine oxide
N[C@@H](Cc1ccc(CC(F)(F)F)cc1)C(=O)O,DB08617,"4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE"
CC(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,DB07205,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1cc2cc(Cl)ccc2o1,DB07544,N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE
COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl,DB07251,"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE"
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,DB07253,"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine"
COc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(OC)c1OC,DB07250,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE"
CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,DB07254,"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE"
Clc1ccc2c(c1Nc1ccnc(Nc3cccc(N4CCOCC4)c3)n1)OCO2,DB07255,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE"
NS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,DB07252,"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide"
NC(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,DB07256,"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE"
COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCCCN1CCCCC1,DB07249,"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine"
Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,DB00214,Torasemide
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,DB00999,Hydrochlorothiazide
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,DB01324,Polythiazide
CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,DB00808,Indapamide
Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,DB00524,Metolazone
OC(c1ccc(NCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F,DB07082,"1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL"
O=C(O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1,DB03791,GW-3965
CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I,DB09333,Iopodic acid
Cc1cc(C)c2c3ccccc3n(Cc3cccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)c3)c2n1,DB04852,Implitapide
O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,DB08827,Lomitapide
COc1cccc(C(=O)Nc2ccc3c(c2)CCN(C(=O)Oc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1,DB05678,SLx-4090
O=C(NCCS)c1cc2cc(F)ccc2[nH]1,DB03384,Fica
CN(C)c1ccc(-c2c(N)ncnc2C#Cc2ccc(N3CCOCC3)nc2)cc1,DB07280,5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE
C[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O,DB07173,"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE"
C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O,DB06176,Romidepsin
O=C(NO)c1ccc(C(=O)N2CCn3c(-c4ccccc4)cnc3C2)s1,DB07879,"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide"
O=C(c1ccc(C(O)(O)C(F)(F)F)s1)N1CCn2c(-c3ccccc3)cnc2C1,DB08613,"2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL"
COc1cccc(OC)c1CN1CCC(NC(=O)CCCS)CC1,DB07735,"N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide"
O=C(NCCCS)[C@@H]1CN(Cc2ccc(F)cc2)CCN1,DB07737,(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide
O=C(NCCS)[C@@H]1CN(Cc2ccc(F)cc2)CCN1,DB07736,(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
CN(C(=O)CCN1Cc2cc(C(=O)c3ccccc3)ccc2N=C1N)C1CCCCC1,DB08749,3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
COc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1,DB07874,"(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one"
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C,DB02378,MMI-175
COc1cc(Br)cc(CN2CCC(NC(=O)CCCS)CC2)c1OC,DB07738,"N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide"
Nc1cccc(CCc2ccc3cc[nH]c3c2)n1,DB07206,6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE
CCCOc1ccc(-c2csc(-c3ccccc3Cl)c2CC(=O)NC(=N)N)cc1,DB07089,N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide
NCCc1ccc(O)c(C2CCCCC2)c1,DB07345,4-(2-aminoethyl)-2-cyclohexylphenol
O=C(CCCS)NC1CCN(Cc2ccccc2)CC1,DB07734,N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
COc1ccc([C@H](Cc2cc([N+](=O)[O-])ccc2OC)c2c[nH]c(N)n2)cc1F,DB07415,4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1,DB07519,"(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one"
Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1,DB07535,2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one
COc1cccc(-c2cccc(CCc3cccc(N)n3)c2)c1,DB07245,6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE
Nc1ncccc1NCc1cccc(-c2ccc3cc[nH]c3c2)c1,DB07993,"N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE"
Cc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1NS(C)(=O)=O,DB07175,N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
Nc1ncccc1NCc1ccccc1,DB07281,"N~3~-BENZYLPYRIDINE-2,3-DIAMINE"
C[C@@H]1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1,DB07019,"N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE"
COc1cncc(-c2cccc(CNc3cccnc3N)c2)c1,DB07303,"N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE"
Fc1ccc(CC2CCNCC2)cc1,DB07110,4-(4-FLUOROBENZYL)PIPERIDINE
Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1,DB07573,"(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol"
N=C(N)NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccccc1,DB06930,"N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide"
Nc1ncccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccn1,DB07994,"N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE"
CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,DB12285,Verubecestat
Nc1ncccc1NCc1cccc(-c2cccnc2)c1,DB07284,"N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE"
O=S(=O)(O)CCCSc1nc2ccccc2s1,DB03132,3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,DB04327,Phosphatidylethanolamine
COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@H]1CCCN(C(=N)N)C1,DB03453,Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate
CC(=O)Nc1ccc(COc2ccc(-c3cc(C4CCN(C(=O)CNC(=O)[C@@H](CC(C)C)N=C(N)N)CC4)n(C)n3)c(Cl)c2Cl)cc1,DB02555,SP4160
O=C(O)[C@H](NOCCS)c1c[nH]c2ccccc12,DB03455,(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
CC(C)C[C@@H](NC(=N)N)C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(OCc4ccc(C(=O)O)o4)c(Cl)c3Cl)nn2C)CC1,DB02581,"N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide"
O=C(CCS)N1CCc2c([nH]c3ccccc23)C1,DB03372,"3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One"
NC(N)=N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)n[nH]2)CC1)C1CCCCC1,DB03957,SP2456
C[C@H](NC(=O)CNC(=O)[C@H](N=C(N)N)C1CCCCC1)C(=O)NCCCS,DB04278,2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(N)(=O)O)[C@@H](O)[C@H]3O)c2[nH]1,DB02623,Aminophosphonic acid-guanylate ester
c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1,DB06809,Plerixafor
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,DB00452,Framycetin
c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1,DB12715,MSX-122
CO[C@@H](Cc1ccccc1)[C@@H](C)C[C@H](C)CC[C@H](N)[C@H](C)C(=O)O,DB02506,"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid"
C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)/C=C3\[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O,DB01780,Fusicoccin
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(O)(O)=S)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB01864,5'-Guanosine-Diphosphate-Monothiophosphate
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,DB06973,Bisphenol A
CC(C)(c1ccccc1)c1ccc(O)cc1,DB06902,p-Cumylphenol
Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1,DB07485,Bisphenol Z
CC(C)c1ccc(CNNC(=O)c2ccc(O)cc2)cc1,DB06884,4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE
CCOC(=O)C(=O)N1CCCCC1,DB02419,Ethyl Oxo(Piperidin-1-Yl)Acetate
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O,DB05814,GPI-1485
CC[C@@H]1/C=C(\C)[C@@H](O)[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Oc4ccc5c(ccn5C)c4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,DB03621,"L-709,587"
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1,DB01951,Gpi-1046
C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,DB00864,Tacrolimus
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(C)cc1,DB01712,"(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester"
COc1cc(C(F)(F)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc2ccccc2)CCCc2cccnc2)cc(OC)c1OC,DB02888,FKB-001
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(=O)O)c1)c1cc(OC)c(OC)c(OC)c1,DB01723,"{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid"
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,DB00337,Pimecrolimus
CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DB03338,Heptyl glucoside
CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O,DB08520,"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE"
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1,DB08597,Dorsomorphin
Cc1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O)cc1,DB04012,"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine"
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CP(=O)(O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O,DB03276,"4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid"
Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,DB00993,Azathioprine
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](N)[C@H](C)C(=O)O,DB06905,"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid"
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CS)CC2,DB07574,"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE"
CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,DB06772,Cabazitaxel
CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1,DB04910,Oxibendazole
CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,DB00518,Albendazole
COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,DB00643,Mebendazole
c1ccc(Nc2nc(Nc3ccccc3)n3nccc3n2)cc1,DB08340,"N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE"
O=C1CCCCc2cnn3c(NC4CC4)nc(nc23)Nc2cccc(c2)N1,DB08338,"19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one"
O=C1c2c(O)cccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21,DB03035,"1,8-Di-Hydroxy-4-Nitro-Anthraquinone"
CSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1,DB04720,"S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE"
Brc1c(Br)c(Br)c2n[nH]nc2c1Br,DB04462,Tetrabromo-2-Benzotriazole
CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1,DB04719,"DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE"
CN1CCn2c1nc1c(Br)c(Br)c(Br)c(Br)c12,DB04721,"N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE"
N#Cc1cnn2c(Nc3ccccc3)nc(NCc3ccc(Cl)cc3)nc12,DB08354,"2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE"
Cc1c(Br)c(=O)oc2c(Br)c(O)ccc12,DB07802,"3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE"
O=C1c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21,DB08660,Quinalizarin
CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1,DB08362,"N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE"
N#Cc1cnn2c(Nc3ccccc3)nc(NCC3CCCCC3)nc12,DB08353,"2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE"
N#Cc1cnn2c(NCCc3cnc[nH]3)nc(Nc3ccccc3)nc12,DB08345,"4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE"
O=C(O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc12,DB01765,"(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid"
Nc1ccc(N)c2c1C(=O)c1c(O)ccc(O)c1C2=O,DB03924,"5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone"
CCN1CCN(c2nc(Nc3ccccc3)n3ncc(C#N)c3n2)CC1,DB08360,"2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE"
O=c1c2c(O)cccc2oc2c([N+](=O)[O-])ccc(O)c12,DB02170,"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One"
OC[C@H]1O[C@@H](n2cnc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O,DB08473,Dichlororibofuranosylbenzimidazole
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O,DB08077,"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID"
O=C(O)/C=C/c1ccc(C(=O)O)cc1,DB02126,4-Carboxycinnamic Acid
COc1ccc(C)c(OCc2ccncc2)c1,DB07428,4-[(5-methoxy-2-methylphenoxy)methyl]pyridine
O=C(O)c1ccc2cc(C(=O)O)ccc2c1,DB08262,"2,6-dicarboxynaphthalene"
Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1,DB08486,Efaproxiral
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],DB06154,Pentaerythritol tetranitrate
O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3],DB09147,Ferric pyrophosphate
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1,DB08632,Trimesic acid
COc1ccc(C)cc1OCc1ccccn1,DB07427,2-[(2-methoxy-5-methylphenoxy)methyl]pyridine
O=C(O)CCCCCCCCC(=O)O,DB07645,Sebacic acid
CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,DB14975,Voxelotor
NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12,DB03693,N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide
COc1cc(OC)c(/C=C2/C(=O)Nc3ccccc32)c(OC)c1,DB03083,IC261
CC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1,DB07964,"(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE"
O=C(O)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc1)NC2=O,DB07189,"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid"
CC#CCOc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccc(C)cc23)C(=O)O)cc1,DB07233,N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1,DB07145,(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCN)cc2)[C@H]1C(=O)NO,DB07121,"4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE"
COC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO,DB07147,"methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate"
CC#CCOc1ccc(S(=O)(=O)N2CC[C@H](S)C2)cc1,DB06943,(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol
CC#CCOc1ccc(S(=O)(=O)CCCS)cc1,DB07079,3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
CC(C)Oc1ccc2c(c1)CCc1c-2c2c(c3c4ccccc4n(CCO)c13)C=NC2=O,DB08703,"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one"
C[C@]12C=C(C=O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O,DB01569,Formebolone
Nc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1,DB04121,Guanosine-3'-monophosphate-5'-diphosphate
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1,DB07348,Brefeldin A
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C,DB04612,"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE"
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C,DB02628,"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide"
CC=c1c(C)c2[n-]/c1=C\c1[n-]c(c(CCC(=O)O)c1C)/C=c1\[n-]/c(c(C)c1CCC(=O)O)=C\c1[n-]c(/c(=C/C)c1C)=C\2.[Zn+4],DB04249,Zinc Substituted Heme C
C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C.[Zn+2],DB03934,Zinc protoporphyrin
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)ccc12,DB07795,Fisetin
CC(C)[C@@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1,DB07379,(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol
CCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12,DB07364,"6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE"
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCC[C@@H](O)CO,DB07766,"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}"
OC(CO/N=C(\Cl)c1cccnc1)CN1CCCCC1,DB06258,Bimoclomol
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1,DB14059,SC-236
CN(C)S(=O)(=O)N1CCN(c2ccnc(CO)n2)CC1,DB04478,"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine"
CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCO)CC1,DB02872,"Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone"
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNCC2)c(OC(C)C)c1,DB04144,"Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone"
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,DB01113,Papaverine
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1,DB06413,Armodafinil
CCNC1C2CCC(C2)C1c1ccccc1,DB01463,Fencamfamin
COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,DB04947,Altropane
Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,DB03701,Vanoxerine
CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,DB01161,Chloroprocaine
NC(=O)c1cc(C(=O)O)cc(-c2ccc(-c3ccccc3)cc2)c1,DB04583,"5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid"
Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1,DB08006,"N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine"
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)O,DB03523,Brequinar
C#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,DB06481,Manitimus
O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,DB01117,Atovaquone
Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2ncnc2n1,DB08008,"5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine"
O=C(O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)C=CC1,DB07978,"2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID"
O=C(O)C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CCC1,DB07975,"2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID"
O=C1C(=C2CCC(c3ccc(Cl)cc3)CC2)C(O)=C(O)c2ccccc21,DB04281,"2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone"
COc1cccc(-c2ccc(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1,DB07976,3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID
COc1ccccc1-c1ccc(NC(=O)/C(C#N)=C(/C)O)c(Cl)c1,DB08172,(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide
CCOc1cccc(-c2ccc(NC(=O)/C(C#N)=C(/C)O)cc2)c1,DB07561,(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O,DB03480,Brequinar Analog
N#C/C(C(=O)Nc1ccc(-c2ccccc2)cc1)=C(/O)C1CC1,DB08169,(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2)cc1,DB07443,(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,DB08880,Teriflunomide
CCCCCCCCCCC[N+](C)(C)[O-],DB07646,"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE"
CCCCCCCCOCCOCCOCCOCCOCCO,DB08249,"3,6,9,12,15-PENTAOXATRICOSAN-1-OL"
C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)c(Cl)c1,DB07559,"(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide"
O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)O,DB07977,"3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID"
NCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1,DB08130,"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine"
O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,DB07046,"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide"
O=C(NOC[C@@H](O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F,DB03115,"5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide"
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1,DB05239,Cobimetinib
O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,DB07101,Mirdametinib
O=C(NOCCO)C1=CC=C(F)[C@@H](F)/C1=N\c1ccc(I)cc1F,DB06892,"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide"
O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F,DB14904,Pimasertib
C#Cc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1,DB08208,"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE"
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,DB08221,N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,DB03032,S-octylglutathione
N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CO)COc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O,DB03706,1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane
CCCCCC/C=C\CCCCCCCCCC(=O)O,DB04801,cis-Vaccenic acid
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,DB05416,Cardarine
C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2.Cc1ccc(S(=O)(=O)O)cc1,DB05188,KD3010
O=C(Nc1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1,DB07691,"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid"
CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O,DB08078,{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2F)c1)C(=O)O,DB07070,(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1.Cl,DB05476,WX-UK1
O=C(O)CC[C@H](C[P@@](=O)(O)Cc1ccc(I)cc1)C(=O)O,DB06928,(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID
O=C(O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc(F)cc1)C(=O)O)C(=O)O,DB07754,DCFBC
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O,DB14805,Piflufolastat F 18
CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,DB08835,Spaglumic acid
N[C@@H](CCC(=O)N[C@@H](CSC(O)OCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O,DB03130,S-P-Nitrobenzyloxycarbonylglutathione
COC(=O)c1c(C)cc(Oc2cc(C)cc(O)c2O)cc1O,DB08179,"methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate"
N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)c1ccc(I)cc1)C(=O)NCC(=O)O)C(=O)O,DB03330,S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione
COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC,DB07248,"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE"
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,DB07460,2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE
O=C(O)c1cc(O)c2c(Cl)cc(Cl)cc2n1,DB01931,"5,7-Dichlorokynurenic acid"
CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mg+2],DB09409,Magnesium acetate tetrahydrate
O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1,DB06741,Gavestinel
COc1ccccc1OCC(O)CO,DB00874,Guaifenesin
CSc1cccc(N(C)/C(N)=N/c2cc(SC)ccc2Cl)c1,DB05824,CNS-5161
CC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C,DB04376,13-Acetylphorbol
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,DB01089,Deserpidine
[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,DB12161,Deutetrabenazine
CCCCCCCCCCCC[N+](C)(C)C,DB02779,Dodecyltrimethylammonium
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,DB11703,Acalabrutinib
NC(=O)[C@H]1CCN(c2ncnc(N)c2F)C[C@@H]1N1CCC[C@@H](Nc2cc(Cl)cc(C(F)(F)F)c2)C1=O,DB16657,Vecabrutinib
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,DB09053,Ibrutinib
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,DB11764,Spebrutinib
CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,DB15347,Branebrutinib
CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,DB15227,Tirabrutinib
C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,DB14785,Fenebrutinib
C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,DB15170,Evobrutinib
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB02854,Aetiocholanolone
COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1,DB02660,Filaminast
CCCOc1cc([C@]2(C)CNC(=O)O2)ccc1OC,DB01647,Daxalipram
CCOC(=O)c1c(C)nn(-c2ccccc2Cl)c1C,DB03807,"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"
COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1,DB03849,Cilomilast
CCOC(=O)c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C,DB01959,"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1,DB04149,(R)-Rolipram
COc1ccc([C@H]2CNC(=O)C2)cc1OC1CCCC1,DB03606,(S)-Rolipram
CCn1ncc2c(NC3CCOCC3)c(C(=O)NCc3ccccc3)cnc21,DB06909,"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide"
CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1,DB12756,TAK-901
Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,DB13044,Gossypol
O=C(O)c1ccc(-c2ccc(F)cc2)cc1,DB07108,"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID"
CCCCCCCCCCCCCCCCCC(=O)O,DB03193,Stearic acid
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,DB09064,Ciprofibrate
CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O,DB12961,Leukotriene B4
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,DB00636,Clofibrate
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1,DB07215,GW-590735
OCC(CO)(CO)NCCCNC(CO)(CO)CO,DB02676,"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol"
CCOC(=O)c1c(C)nn(-c2ccc(N)cc2)c1C,DB03183,"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"
CCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1C,DB04469,"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester"
COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F,DB02918,Zardaverine
CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC,DB05298,Tetomilast
CCOC(=O)c1c(C)[nH+]n(-c2ccccc2)c1C,DB07051,"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER"
NC(=O)c1ccc[n+]([C@@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1,DB03227,Nicotinamide Mononucleotide
O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1n1cnc2c1ncn1ccnc21,DB03732,Etheno-Nadp
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,DB01211,Clarithromycin
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,DB00537,Ciprofloxacin
CCN(CC)CCNC(=O)c1ccc(N)cc1,DB01035,Procainamide
O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,DB01195,Flecainide
Clc1ccc(CCCOCCCN2CCCCC2)cc1,DB11642,Pitolisant
Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1,DB06457,Tecastemizole
CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,DB01218,Halofantrine
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21,DB08325,2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
NC(=O)OCC(COC(N)=O)c1ccccc1,DB00949,Felbamate
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,DB02338,NADPH
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O,DB16226,Maralixibat
CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1,DB16261,Odevixibat
CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)N[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1O,DB13914,Volixibat
C/C(=C/C=C/[C@@H](C)C(=O)O)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O,DB02852,Domoic Acid
COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1,DB05119,Rilapladib
Nc1ncnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]nc12,DB02281,Formycin
CSC[C@H]1N[C@@H](c2c[nH]c3c2N=CNC3N)[C@H](O)[C@@H]1O,DB02158,"(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol"
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,DB02282,5'-S-methyl-5'-thioadenosine
CSC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O,DB02933,5'-Deoxy-5'-(Methylthio)-Tubercidin
N=C(N)NC(=N)NCCc1ccccc1,DB00914,Phenformin
CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O,DB03632,Argifin
CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)[C@H](C[C@H]2O)NC(=O)[C@H]2CCCN2C1=O,DB04350,Argadin
C=NC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1,DB03539,2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose
CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1,DB04404,Allosamizoline
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O,DB03109,2-acetylamino-2-deoxy-b-D-allopyranose
C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1,DB04256,(S)-alpha-methyl-4-carboxyphenylglycine
CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCO,DB04752,Phosphatidyl ethanol
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CO[P@@](=O)(O)OC[C@H](O)CO,DB04683,"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE"
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB01861,Uridine diphosphate glucose
CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO,DB01970,"Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide"
C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1,DB01640,"6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one"
C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1,DB04845,Ixabepilone
CCOCCOCCOCCOCCOCCOCC,DB06867,"3,6,9,12,15,18-HEXAOXAICOSANE"
CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12,DB12565,Abexinostat
O=C(CCCCCCC(=O)Nc1cccnc1)NO,DB12847,Pyroxamide
Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,DB11841,Entinostat
Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1,DB06603,Panobinostat
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,DB05015,Belinostat
CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,DB12645,Givinostat
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,DB01262,Decitabine
CNc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CC#N)cc2)n1,DB07168,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
Cc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1,DB08699,"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine"
N#CCC1C=CC(=Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)C=C1,DB07853,"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile"
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,DB02925,Piretanide
NCC[C@H](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c1cccc(Cl)c1,DB07608,N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
CC(=O)N1CCN(CCN2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2nn(C(C)C)c4ccccc24)C3)CC1,DB05905,TD-2749
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21,DB12702,Velusetrag
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC,DB05542,Naronapride
CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1,DB04873,Piboserod
COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,DB06480,Prucalopride
CSc1nc2ccccc2c(=O)n1-c1c(F)cccc1F,DB08602,"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one"
CNS(=O)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1,DB08341,"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide"
O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,DB03041,UDP-alpha-D-glucuronic acid
CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,DB04880,Enoximone
Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,DB00235,Milrinone
O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,DB00261,Anagrelide
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,DB00922,Levosimendan
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,DB01166,Cilostazol
CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,DB01091,Butenafine
CN(CC=Cc1ccccc1)Cc1cccc2ccccc12,DB00735,Naftifine
CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,DB00857,Terbinafine
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,DB12651,Bardoxolone
CCCCCC(=O)/C=C/C1C(O)CC(=O)C1CC=CCCCC(=O)O,DB07177,"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID"
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12,DB01889,"16,17-Androstene-3-Ol"
CCCCCCCCC[C@@H](O)CC(=O)O,DB07930,(3R)-3-HYDROXYDODECANOIC ACID
CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1,DB07403,"4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE"
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(C)c1,DB08609,"(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide"
CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc1,DB08610,N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@H](C)CN1C(=O)c1ccc(C#N)cc1,DB08608,"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE"
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncc(C(N)=O)c1,DB07970,5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide
NCc1ccc2c(c1)C1(CCN(C(=O)/C=C/c3ccccc3)CC1)CO2,DB06849,"1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine"
CSc1sc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2ccccc12,DB06848,"1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine"
CCOC(=O)NC(=N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1,DB06248,Amelubant
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,DB07236,3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL
C[C@]12CC[C@H]3[C@@H](CC=C4C=C(C(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ccc(O)cc1,DB08220,"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid"
C=Cc1cc(O)cc2nc(-c3ccc(O)c(F)c3)oc12,DB06832,Prinaberel
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12,DB07150,4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME
N#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12,DB07198,5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
O=C1C(c2ccc(O)cc2)=C(Br)c2ccc(O)cc21,DB07230,3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE
Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1,DB07119,1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL
Oc1ccc2nc(-c3cccc4c(O)cccc34)oc2c1,DB07009,"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL"
N#Cc1cc(-c2ccc(O)c(F)c2)cc2ccc(O)cc12,DB06875,ERB-196
COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,DB01251,Gliquidone
CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,DB12887,Tazemetostat
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12,DB14581,CPI-1205
Oc1ccc(C2=Cc3ccc(O)cc3OC2)cc1,DB04915,Idronoxil
Fc1ccc(-c2ncn(CC3CC3)c2-c2ccncc2)cc1,DB08522,4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,DB07138,Neflamapimod
Nc1c(C(=O)c2cccc(OC[C@@H](O)CO)c2)cnn1-c1ccc(F)cc1,DB08424,"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE"
O=C1CCc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)cc2N1c1c(Cl)cccc1Cl,DB01948,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One"
COc1ccc(N(C(=O)Nc2ccccc2Cl)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1,DB08095,"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA"
c1ccc2c(CCc3ccncc3)c[nH]c2c1,DB01953,Inhibitor of P38 Kinase
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CC2CC2)n1,DB03980,4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole
C[S@@](=O)c1ccc(-c2nc(-c3ccncc3)c(-c3cccc(I)c3)[nH]2)cc1,DB07607,4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccc2)c1,DB08242,"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide"
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)[nH]n1,DB08064,N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1,DB07835,"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide"
CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1,DB08352,"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine"
O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,DB07943,SD-0006
CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2O)n1,DB08395,2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
Nc1c(C(=O)c2cccc(OC3CCNCC3)c2)cnn1-c1ccc(F)cc1,DB08423,[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cn12,DB04797,Triazolopyridine
O=C(Nc1ccc2ccn(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1,DB08730,3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE
O=C1NCc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)cc2N1c1c(Cl)cccc1Cl,DB02873,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One"
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4cccc(C#N)c4)cc3)c2)o1,DB07833,"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide"
Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCC4CC4)cc3)c2)o1,DB07834,"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide"
Fc1ccc(-c2c[nH]nc2-c2ccnc(F)c2)cc1,DB07942,2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Nc1ncccc1OCc1cccc2ccccc12,DB08093,3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE
O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)C1=C[C@H](F)C[C@@H](N2CCOCC2)C1,DB08068,N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1,DB02277,1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CCn1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21,DB08096,"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM"
CC[C@@H](C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1,DB06991,"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide"
CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,DB07941,PH-797804
O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1,DB07459,4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
COc1cc2ncnc(Nc3cccc(SC)c3)c2cc1OC,DB02984,"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline"
CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C,DB06940,"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide"
Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F,DB08349,"N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide"
Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(C=O)n3)ccc12,DB07832,"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde"
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,DB03044,Doramapimod
On1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21,DB02195,"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine"
C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CCNCC3)n2C)n1)c1ccccc1,DB01761,4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1,DB01807,"N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea"
CC(C)n1c(Nc2ccccc2F)nc2cnc(Oc3c(F)cccc3F)nc21,DB08097,"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE"
O=S(=O)(Nc1cccc(Oc2ccc(F)cc2)c1)N1CCC(NCc2ccccc2O)CC1,DB04632,4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE
O=C(Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)c1cc(F)cc(N2CCOCC2)c1,DB08091,3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
O=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1,DB08092,3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3C)nncc2c1,DB07307,N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,DB08351,N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
c1ccc(C[C@H]2CN(c3cc(-c4ccncc4)c(-c4ccc5ccccc5c4)nn3)CCN2)cc1,DB01988,6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine
Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1,DB07829,4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
Cc1nnc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)c(C)c2)o1,DB07811,"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide"
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21,DB06518,R-1487
C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,DB16098,Atogepant
Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12,DB15688,Zavegepant
C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,DB15328,Ubrogepant
N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F,DB12457,Rimegepant
CCCCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1N=N2,DB08675,"(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid"
COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1,DB08356,"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol"
O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O,DB12255,Vadadustat
Cl.Cl.N[C@@H](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O,DB06082,PX-478
O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O,DB08687,FG-2216
OC[C@]1(F)OC(F)[C@@H](O)[C@@H](O)[C@@H]1O,DB03008,5-fluoro-beta-L-gulosyl fluoride
CCCCCCCCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,DB08321,"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol"
O=C1N[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O,DB02742,Kifunensine
[O-]S([O-])([O-])OC(CO)[C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO,DB02492,Ghavamiol
CS[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]1NCc1ccccc1,DB06984,"(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol"
O=C(O)CNC(=O)c1cccc(O)c1,DB07069,m-Hydroxyhippuric acid
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2,DB09039,Eliglustat
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,DB00419,Miglustat
CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O,DB04636,Glutamine t-butyl ester
CCCCC[C@H]1O[C@@H](O)C[C@@H]1SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O,DB04521,4-S-Glutathionyl-5-pentyl-tetrahydro-furan-2-ol
O=C(O)Cc1c[nH]c2ccccc12,DB07950,Indoleacetic acid
N[C@@H](CCC(=O)N[C@@H](CS[C@H](O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O,DB03889,S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione
Cc1ncc([N+](=O)[O-])n1CCNS(N)(=O)=O,DB12741,DTP-348
O=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1,DB07437,5-Benzylacyclouridine
Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,DB01007,Tioconazole
Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,DB07705,(S)-econazole
CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,DB01167,Itraconazole
N[C@@H](CC1=CC(=O)C(O)=CC1=O)C(=O)O,DB04334,6-hydroxydopa quinone
CCOP(=O)(OCC)[C@@H](C)NC(=O)N(CCCl)N=O,DB04106,Fotemustine
COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC,DB04851,Biricodar
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,DB01032,Probenecid
COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12,DB05532,BMS-488043
CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1,DB05541,Brivaracetam
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,DB00168,Aspartame
CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC,DB05676,Apremilast
NC(=O)[C@@H](N)Cc1ccc(O)cc1,DB03380,L-tyrosinamide
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1,DB08454,N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(=O)O,DB08342,S-palmitoyl-L-cysteine
O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1Cc1c(O)ccc2ccccc12,DB15493,Cambinol
CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1,DB07115,"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide"
O=C1NC(=O)/C(=C/c2ccc3nccc(-c4ccncc4)c3c2)S1,DB11962,GSK-1059615
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1,DB14083,Bisphenol A diglycidyl ether
COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O,DB09120,Zucapsaicin
COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,DB06774,Capsaicin
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,DB06515,Resiniferatoxin
CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,DB11324,Nonivamide
c1ccc(C2(N3CCCCC3)CCCCC2)cc1,DB03575,Phencyclidine
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,DB02772,Sucrose
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1,DB08004,"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol"
Nc1cccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)c1,DB07698,"3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine"
Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1,DB06937,"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL"
Oc1ccc(-c2cc3cc(O)ccc3o2)cc1,DB07032,2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB03882,"5-Alpha-Androstane-3-Beta,17beta-Diol"
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O,DB07702,17alpha-Estriol
CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,DB03860,ICI-164384
Oc1ccc(CCNc2nc(SCCCc3ccc(Cl)cc3)nc(N3CCNCC3)n2)cc1,DB04020,"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol"
COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CC(F)(F)C[C@@H]21,DB07036,"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol"
CCCC[C@@]12CCC(=O)C(Br)=C1c1ccc(O)cc1C2,DB07757,"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one"
CC(=O)/C=C/c1cn(C)c2ccccc12,DB08186,(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE
NCCCNc1ccccc1[N+](=O)[O-],DB08291,N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1,DB12128,Ulimorelin
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O,DB13074,Macimorelin
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-],DB03245,S-4-Nitrobutyryl-CoA
Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1,DB16733,Rimtuzalcap
N[C@@H](CCSCCCCC(=O)O)C(=O)O,DB02337,S-(D-Carboxybutyl)-L-Homocysteine
CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,DB05786,Irofulven
Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1,DB07642,"5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine"
Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1,DB07643,"5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine"
C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21,DB03593,7-methyl-5'-guanylic acid
C[C@H](Oc1cccc2nc(N)nc(N)c12)c1cccc(Cl)c1,DB07644,"5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine"
Cn1c[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)nc(N)[nH]c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c2[nH]c(N)nc(=O)c21,DB03958,7-methyl-guanosine-5'-triphosphate-5'-guanosine
NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21,DB13978,Selisistat
c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1,DB07340,Reversine
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,DB04703,Hesperidin
O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,DB11682,Daprodustat
Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,DB04847,Roxadustat
CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1C,DB08009,SU-11652
O=C(O)c1cc(F)c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)sc2c1,DB16343,Tropifexor
COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1,DB02545,Fexaramine
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2c1-c1cc(Cl)ccc1OC2,DB16255,Nidufexor
CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12,DB05990,Obeticholic acid
C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,DB01255,Lisdexamfetamine
O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12,DB11560,Lesinurad
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,DB00198,Oseltamivir
C1Cc2[nH]nc(-c3nn[nH]n3)c2C1,DB05939,MK-0354
CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21,DB09119,Eslicarbazepine acetate
NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21,DB14575,Eslicarbazepine
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,DB06174,Noscapine
CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F,DB15463,Belzutifan
CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1,DB08828,Vismodegib
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1,DB11978,Glasdegib
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,DB06786,Halcinonide
Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,DB09143,Sonidegib
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O,DB00946,Phenprocoumon
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,DB01418,Acenocoumarol
O=C1c2ccccc2C(=O)C1c1ccccc1,DB00498,Phenindione
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O,DB04352,beta-D-Ribose-5-phosphate
Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO,DB07350,(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide
Cc1ccc(C(=O)Nc2cc(C(=O)N(C)C)cc(-c3ccc(C(=O)NO)cc3)c2)cc1,DB07586,"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE"
CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1,DB02565,4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CN(c1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc(-c2ccccn2)s1,DB02917,N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,DB01611,Hydroxychloroquine
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,DB02097,Cytidine
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1,DB02431,Cytidine-5'-Triphosphate
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB04005,Uridine 5'-triphosphate
O=C(O)CNC(=O)c1ncc2c(I)cccc2c1O,DB07112,N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
N[C@@H](CC(=O)O[Be-2](F)(F)F)C(=O)O,DB04156,Aspartate beryllium trifluoride
CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21,DB05553,Regrelor
Clc1ccccc1CN1CCc2sccc2C1,DB00208,Ticlopidine
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,DB08816,Ticagrelor
CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O,DB06441,Cangrelor
CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1,DB15163,Selatogrel
CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,DB06209,Prasugrel
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1,DB16349,Vicagrel
CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F,DB06350,Elinogrel
COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,DB00758,Clopidogrel
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,DB00152,Thiamine
Cc1ncc(C[n+]2cccc(CCO[P@@](=O)(O)OP(=O)(O)O)c2C)c(N)n1,DB04768,Pyrithiamine Pyrophosphate
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,DB00309,Vindesine
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,DB04099,Deamido-Nad+
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C,DB04310,2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C,DB04368,Bb-3497
O=C(O)c1cccnc1Nc1ccc(Cl)cc1,DB08784,2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Cc1cn([C@@H]2C[C@@H]3O[C@@](c4ccccc4)(P(=O)(O)O)OC[C@@H]3O2)c(=O)[nH]c1=O,DB02217,Dpb-T
Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,DB04672,"Cyclic 3',5'-thymidine monophosphate"
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C,DB06750,Ginsenoside Rg1
CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12,DB16324,Selgantolimod
CC(C)Cn1cnc2c(N)nc3ccccc3c21,DB00724,Imiquimod
Cc1c(-c2[nH]c3ccc(C4CCN(CC(N)=O)CC4)cc3c2C(C)C)cn2ncnc2c1C,DB16580,Afimetoran
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O,DB06530,Resiquimod
O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2,DB12764,Opaganib
CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O,DB08855,Leukotriene C4
CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O,DB11858,Leukotriene D4
C=C=CCNCCCCNCC=C=C,DB04188,MDL72527
O=C(O)C(=O)N[C@H](Cc1ccccc1)C(=O)O,DB08263,N-(carboxycarbonyl)-D-phenylalanine
CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO,DB08590,1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE
CC(=O)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)O[C@@H]1O,DB03478,2'-O-Acetyl Adenosine-5-Diphosphoribose
Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,DB04860,Isatoribine
CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1n1c(=O)sc2cnc(N)nc21,DB06329,RG-7795
COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,DB05171,E-2012
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,DB03585,Oxyphenbutazone
COc1c(O)ccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3,DB02636,"9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid"
CCCc1cc(CC(=O)O)c2[nH]c(CC(N)=O)cc2c1,DB07958,(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID
O=C(O)CCc1c[nH]c2ccccc12,DB02758,Indolepropionic acid
COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)cc1CC=C(C)C,DB07500,(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CN(C)Cc1c[nH]c2c(CCCO)cccc12,DB08447,3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL
NC[C@@H](CC(=O)O)c1ccc(Cl)cc1,DB12098,L-Baclofen
O[C@@H]1[C@H](O)Cc2c(cc3ccc4cccc5ccc2c3c45)[C@H]1O,DB07435,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE"
O=c1[nH]c(NCc2cccc3ccccc23)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,DB08237,2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate)
Cc1cc([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(F)cc1F,DB07652,"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE"
C[C@@H](/C=C/C(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1,DB01810,"[1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester"
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)CF,DB08775,Benzoyl-tyrosine-alanine-fluoro-methyl ketone
C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=O)CF,DB03536,Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](O)CC(=O)O,DB03691,WRR-112
CCC[C@@H](C=CS(=O)(=O)c1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)N1CCC(N2CCOCC2)CC1,DB02243,4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide
CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](O)CC(=O)O,DB03573,WRR-99
CC(=O)[C@@H](N)CCc1ccccc1,DB07913,HOMOPHENYLALANINYLMETHANE
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CO)OCc1ccccc1,DB01871,[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester
O=C(O)[C@@H](O)Cc1c[nH]c2ccccc12,DB07060,3-(INDOL-3-YL) LACTATE
CCCCCCCCCCC1=C(O)C(=O)NC1=O,DB03064,"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline"
CCCCCCCCCCCCSc1[nH]nnc1C(=O)O,DB06979,"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid"
Cc1cc2c(cc1C)[n+](S(=O)(=O)[O-])c1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB02164,N-sulfo-flavin mononucleotide
CCCCCC(CCCCC)Sc1[nH]nnc1C(=O)O,DB04374,"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole"
CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,DB03832,"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium"
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C,DB02306,Palmitoyl-Linoleoyl Phosphatidylcholine
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,DB04372,L-Dilinoleoyllecithin
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,DB02422,Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,DB09083,Ivabradine
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,DB01082,Streptomycin
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,DB00207,Azithromycin
C/C(N)=N\CCC[C@H](NC(=O)c1ccccc1)C(N)=O,DB07449,N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide
O=C(C[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO,DB06837,"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide"
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1,DB06945,N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide
CNS(=O)(=O)Nc1ccc(-c2ccccc2)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1=O,DB08614,"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE"
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C=O,DB07956,[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O,DB08641,"(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID"
O=C(NCc1ccccc1)NC[C@@H](O)C(=O)O,DB08007,(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID
C[C@@H](NC=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C,DB07433,(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
CC(C)[C@H](NC(=O)Cn1c(-c2ccc(N)cc2)ncc(NS(C)(=O)=O)c1=O)C(=O)C(F)(F)F,DB03202,"2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide"
CC[C@@H](C(=O)O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O,DB06951,(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid
CC(C)[C@H](C=O)[C@H]1[C@H](NS(C)(=O)=O)CCN1C(=O)/C=C/CN1CCCCC1,DB03890,N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide
C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O,DB03757,N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alaninamide
Nc1ccc(CC(=O)OCCBr)c(C=O)c1,DB07955,(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE
CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)C(=O)O,DB08640,"(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID"
COC(=O)[C@H](OC(C)=O)c1ccc(N)cc1C(=O)O,DB07957,METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE
CC(C)[C@H](NC(=O)c1ccc(C(=O)NCC(=O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C,DB03702,"N-{4-[(Carboxymethyl)carbamoyl]benzoyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide"
Nc1nc2ccc(OC(F)(F)F)cc2s1,DB00740,Riluzole
c1ccc2nc(COc3ccc(-c4n[nH]cc4-c4ccncc4)cc3)ccc2c1,DB08386,2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
COc1cc2ncnc(N3CC[C@@H](Oc4cnc5ccccc5n4)C3)c2cc1OC,DB08391,PQ-10
COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1,DB08383,"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole"
c1ccc2nc(COc3ccc(-c4n[nH]cc4Cc4ccncc4)cc3)ccc2c1,DB08384,2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ccccc5c4)C3)c2cc1OC,DB08389,"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE"
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1,DB08387,Mardepodect
CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O,DB00587,Cinalukast
COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,DB00549,Zafirlukast
N[C@@H](CCC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)C(=O)O,DB04700,GLUTATHIONE SULFINATE
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N=C(N)N,DB00558,Zanamivir
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O,DB03991,"2-deoxy-2,3-dehydro-N-acetylneuraminic acid"
CC(=O)N[C@H]1[C@H](OCC(C)C)OC(C(=O)O)=C[C@@H]1O,DB07960,"5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID"
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,DB12789,Dinoprost
O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2,DB13036,Ramatroban
Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,DB04828,Zomepirac
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCNCC1,DB08058,"4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one"
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1,DB05289,Tarenflurbil
COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NP(=O)(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,DB01989,Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate
COc1ccc(/N=c2/[nH]c(N)c(C(=O)c3ccc(OC)cc3)s2)cc1,DB07488,"{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone"
Nc1[nH+]c(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1,DB07489,"4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium"
C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3,DB02205,(+)-Rutamarin alcohol
COc1cc(OC)cc(C(=O)N[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1,DB03331,"N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine"
COc1cc(OC)cc(C(=O)N[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N[C@@H]4CCCc5ccccc54)ncnc32)c1,DB04477,"2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine"
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,DB07558,acetylleucyl-leucyl-norleucinal
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@H]2O[V](=O)(=O)O[C@@H]21,DB02661,"Adenosine-5'-diphosphate-2',3'-vanadate"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O,DB03708,Adenosine 5'-phosphosulfate
Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,DB03256,(6R)-Folinic acid
Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2,DB16628,Fosdenopterin
CCCCCCC[C@@H](O)C[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,DB01998,"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol"
COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1,DB05961,PPL-100
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,DB12532,Oxetacaine
O=C(O)CCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1,DB08562,4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
O=C(O)CCCNC=C1N=C(c2ccccc2)OC1=O,DB08396,"4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid"
CN(CCCCC(=O)O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1,DB08635,N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID
O=C(O)CCCNC(=O)c1ccc([C@H]2CC[C@H](c3ccccc3)C[C@@H]2O)cc1,DB07909,"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL"
OC[C@H]1O[C@H]2C=C[C@H]3O[C@H]4[C@H](O)[C@H]5OCC=CC[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2C/C=C\[C@@H]1O,DB07716,"(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL"
CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC,DB07416,(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE
CCCC[N+](CCCC)(CCCC)CCCC,DB01851,Tetrabutylammonium Ion
Cc1cc2c(cc1C(=O)CCC(=O)O)[C@@H](C(C)C)[C@H](C)C2(C)C,DB08647,Trazeolide
CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1,DB07893,PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
CN1c2ccccc2C(C#N)(C(=O)NCCC(=O)O)c2ccccc21,DB07441,"3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID"
C[C@]12CCC[N@+]([O-])(CC(=O)Nc3ccc(NC(=O)CCCC(=O)O)cc3)[C@@H]1CC[C@@]1(C)O[C@@H]21,DB07882,"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID"
CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@](NC(=O)OCC(=O)O)(CC4)[C@@H]3C2=O)cc1,DB07784,"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID"
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C,DB04688,Methylecgonine
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,DB07375,Etiocholanedione
O=C(O)CCCC(=O)Nc1ccc(CC[N+]2([O-])CCCCC2)cc1,DB08289,N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE
O=C(O)CNC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1,DB08394,PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE
N#Cc1ccc(N/C(=N\CC(=O)O)NC(c2ccccc2)c2ccccc2)cc1,DB07816,N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
O=C(O)CCCC[P@@](=O)([O-])Oc1ccc([N+](=O)[O-])cc1,DB08296,5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID
C[Si](C)(c1ccccc1)[C@H]1CC[N@@+](C)([O-])CC1,DB07672,TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE
C[C@@H](NC(=O)CCCP(=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O,DB08377,N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine
C[C@]12OO[C@](CCC(=O)O)(c3ccccc31)c1ccccc12,DB08332,9-(2-carboxyethyl)-10-methylanthracene endoperoxide
O=C(O)CCCC(=O)N[C@H](Cc1ccccc1)[P@@](=O)(O)OCC(=O)NCCc1ccccc1,DB07881,N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE
O=C(O)CCCCCNC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1,DB08412,6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
O=C(O)c1ccccc1C1c2ccc(O)cc2Oc2cc(O)ccc21,DB07764,Fluorescin
O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1,DB08294,2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID
O=C(O)CNC(=O)CCC[P@](=O)(O)OCc1ccc([N+](=O)[O-])cc1,DB08409,4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
N[C@]1(C(=O)c2ccccc2)[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1,DB07883,(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE
N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O,DB04639,Biphenylalanine
C[C@H](NC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O,DB08411,N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine
Cc1c2ccccc2c(CCC(=O)O)c2ccccc12,DB07371,3-(10-methyl-9-anthryl)propanoic acid
O=C(O)CNC(=O)CCCC(=O)NCc1ccc([N+](=O)[O-])cc1,DB08410,PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O,DB08323,3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
O=C(O)CCCCN(Cc1ccc([N+](=O)[O-])cc1)CP(=O)(O)O,DB07329,1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
COC(=O)[C@H]1[C@@H](O[P@@](=O)(O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,DB08618,3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CCC(=O)O)C[C@]12C,DB08547,PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,DB08510,5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)C(=O)O)cccc12,DB04676,Dansyllysine
Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1,DB01048,Abacavir
NC(CCC(=O)NC(CSCO)C(=O)NCC(=O)O)C(=O)O,DB05446,LJP 1082
C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,DB02285,Protoporphyrin
O=C([O-])CCCCCNC(=O)Cc1ccc(O)c([N+](=O)[O-])c1,DB08295,4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
O=C([O-])CCCCCNC(=O)Cc1cc(I)c(O)c([N+](=O)[O-])c1,DB08273,4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
N/C(=N\CCC[C@H](N)C(=O)O)N[C@H](CC(=O)O)C(=O)O,DB02267,Argininosuccinate
O=C(O)[C@@H](S)Cc1ccc(I)cc1,DB02570,PD150606
CC(=O)c1cc(C)cc(C)c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C,DB05407,TBC-3711
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21,DB00693,Fluorescein
Cc1c(CCO)c(=O)oc2cc(O)ccc12,DB07908,7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN
COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2,DB02929,K201 free base
NCCOP(=O)(O)OC[C@@H](O)CO,DB03484,sn-glycero-3-phosphoethanolamine
N[C@@H](COP(=O)(O)OC[C@H](O)CO)C(=O)O,DB02497,L-Alpha-Glycerophosphorylserine
O=C(O)CCCCCCCCCCCBr,DB02405,12-Bromododecanoic Acid
COC(=O)C1CCN(C(=O)c2ccc(N(C)Cc3cnc4nc(N)nc(N)c4n3)cc2)CC1,DB07765,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE"
COC(=O)C1CCN(C(=O)c2ccc(NCc3cnc4nc(N)nc(N)c4n3)cc2)CC1,DB07689,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE"
Nc1ccc2nc(N)nc(N)c2c1,DB02532,"2,4,6-Triaminoquinazoline"
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,DB11948,Lapachone
O=CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,DB07497,"5-(hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-yl)pentanal"
CS(=O)(=O)c1cc(Cl)c(-c2cc(Cl)c(S(C)(=O)=O)cc2Cl)cc1Cl,DB08373,"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL"
C=C1[C@@H]2CC[C@@H]3[C@@]4(C)C[C@@H](O[C@H]5O[C@@H](COO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)CC(C(=O)O)(C(=O)O)[C@@H]4CC[C@]3(C2)[C@H]1O,DB02426,Carboxyatractyloside
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],DB01736,[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,DB04178,Di-Stearoyl-3-Sn-Phosphatidylcholine
O=C(O)CC[C@H](O)Nc1ccc(N2C(=O)CCC2=O)cc1,DB08378,"4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID"
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,DB03203,Sphingosine
O=C(O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O,DB01681,Benzene Hexacarboxylic Acid
C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO,DB04660,Choline alfoscerate
O=S(=O)(O)O[C@H]1[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O,DB01666,D-Myo-Inositol-Hexasulphate
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,DB03323,Maltose
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,DB03277,alpha-maltotriose
CS[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO,DB02730,4-Methylthio-Alpha-D-Mannose
COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,DB01129,Rabeprazole
CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1,DB11739,Vonoprazan
CCOC(OCC)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C,DB06124,L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,DB09552,Thonzonium
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-].CCCCCCCCCCCC[N+](C)(C)[O-],DB05398,C31G
O=S(=O)(O)CCCN1CCOCC1,DB03434,3-(N-morpholino)propanesulfonic acid
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,DB00150,Tryptophan
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[C@@H](O)[C@H]1O,DB01831,Tryptophanyl-5'amp
NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,DB04537,Tryptophanamide
NCSCC[C@H](CCCCC(=O)O)SSCCO,DB03187,6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,DB01003,Cromoglicic acid
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSS,DB04036,Coenzyme A persulfide
O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12,DB04474,8-anilinonaphthalene-1-sulfonic acid
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl,DB05943,Resatorvid
CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC,DB04741,Myxothiazol
COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N,DB08931,Riociguat
O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O,DB01020,Isosorbide mononitrate
CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,DB09282,Molsidomine
COCCOCCOCCOCCOCCOC,DB02580,Pentaglyme
O=C1c2c(O)cccc2Cc2cccc(O)c21,DB11157,Anthralin
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O,DB02835,"Alpha-D-Glucose 1,6-Bisphosphate"
O=P(O)(O)O[C@H]1O[C@@H](CO[V](=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O,DB04397,Alpha-D-Glucose-1-Phosphate-6-Vanadate
COc1ccc(C[C@H](N)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1,DB08437,Puromycin
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,DB04865,Omacetaxine mepesuccinate
COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1,DB07374,Anisomycin
COc1ccc(CN2CCNCC2)c(OC)c1OC,DB09069,Trimetazidine
CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,DB01731,(S)-wiskostatin
CC(=O)N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,DB03951,N-acetyl-D-glucosamine-6-phosphate
N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,DB02445,2-Deoxy-2-Amino Glucitol-6-Phosphate
CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1,DB06152,Nylidrin
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O,DB03408,gamma-Glutamylcysteine
CN1c2c([nH]c(N)nc2=O)NCC1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,DB04789,5-methyltetrahydrofolic acid
O=C(O)[C@H](O)[C@@H](O)COP(=O)(O)O,DB01756,4-phospho-L-threonic acid
O=C(CO)COP(=O)(O)OC1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,DB02028,"(1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)]"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]1O,DB01860,Cordycepin Triphosphate
O=P(O)(O)OP(=O)(O)OP(=O)(O)O,DB03896,Triphosphoric acid
Nc1nc2c(c(=O)[nH]1)N[C@H]1C3=C(S[Mo](=O)(=O)(S)S3)[C@H](COP(=O)(O)O)O[C@H]1N2,DB03983,"{[2-Amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum"
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,DB07447,5beta-dihydrotestosterone
CC[Hg]Sc1ccccc1C(=O)O,DB02731,Ethylmercurithiosalicylic acid
O=[V]([O-])[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V](=O)[O-])[V](=O)(=O)=O)[V](=O)(=O)=O,DB02681,"2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium"
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,DB02759,4-methyl-umbelliferyl-N-acetyl-chitobiose
O=CCCCC=C(C=O)CCC=C(C=O)CCC=O,DB06912,"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE"
CCCCCCCCCCCCOS(=O)(=O)O,DB03967,Dodecyl sulfate
C1CNCCNCCCNCCNC1.[Cu],DB03189,Cu-Cyclam
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O,DB04194,Triacetylchitotriose
CC(=O)N[C@H]1[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,DB04268,Methylumbelliferyl chitotriose
CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](N)[C@H]1O,DB04602,PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O,DB04805,Virginiamycin S1
O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB02745,Uridine
CC(C)(C)OC(=O)NCCCCCC[C@H](C(=O)O)c1c[nH]c2ccccc12,DB06982,(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
O=C(O)Cc1cccc2ccccc12,DB01750,1-naphthaleneacetic acid
CCCC[C@H](C(=O)O)c1c[nH]c2ccccc12,DB06980,(2S)-2-(1H-indol-3-yl)hexanoic acid
CCC[C@H](C(=O)O)c1c[nH]c2ccccc12,DB06981,(2S)-2-(1H-indol-3-yl)pentanoic acid
COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)S[C@@H]4C)ccc32)cc1OC,DB03944,"5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One"
CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](C)CC(=O)CCC[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@@H](C)C(OC(C)=O)C(C)C=CN(C)CO)[C@@H]1C,DB03021,Ulapualide A
CO[C@H]([C@H](C)/C=C/N(C)CO)[C@@H](C)C(=O)CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@@H](O[C@H](N)O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC,DB03616,Kabiramide C
C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2,DB08080,Latrunculin B
CO[C@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C1,DB04775,Reidispongiolide C
CO[C@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1,DB04774,Reidispongiolide A
CN(C)C1=CCC2=C(c3ccc(N4C(=O)C=CC4=O)cc3C(=O)O)c3ccc(N(C)C)cc3OC2=C1,DB03903,Tmr
CO[C@H]1CC2=CC(=O)O[C@@H]([C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C1)[C@H]2O,DB04783,Sphinxolide B
CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](O)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)CO)OC,DB03850,Jaspisamide A
O=C(N[C@@H](CO)C(=O)O)c1cccc(O)c1O,DB02710,"2,3,-Dihydroxybenzoylserine"
C[C@H]1C[C@H](O)N[C@@H]2CCCCN(O[Fe@@]34Oc5ccccc5C5=N[C@H](CO5)C(=O)N[C@@H](CCCC[N@](O3)[C@H](/C=C/CCCCCCC(=O)O)O4)C(=O)O1)C2=O,DB01926,Carboxymycobactin S
O=C(O)CCCCCC/C=C\[C@@H]1O[Fe@@]23Oc4ccccc4[C@H]4N[C@@H](CO4)C(=O)N[C@H](CCCCN1O2)C(=O)OCCC(=O)N[C@@H]1CCCCN(O3)C1=O,DB04043,Carboxymycobactin T
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC,DB03690,"(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide"
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,DB02144,"1,2-diacyl-sn-glycero-3-phosphoinositol"
CC(=CC(=O)O)/C=C(\C)C[C@H](C)CCCC[C@@H](O)[C@H](C=O)CO,DB07740,"(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid"
COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N,DB15456,Vericiguat
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,DB09230,Azelnidipine
COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,DB00343,Diltiazem
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O,DB13746,Bioallethrin
CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1,DB09235,Efonidipine
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,DB00528,Lercanidipine
N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,DB01763,7-thionicotinamide-adenine-dinucleotide phosphate
O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,DB02942,"Inositol 1,3-Bisphosphate"
C[N+](C)(C)CCCCCC[N+](C)(C)C,DB08960,Hexamethonium
COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-],DB00416,Metocurine iodide
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1,DB01339,Vecuronium
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc1c[nH]c2ccccc12,DB02931,CoA-s-acetyl tryptamine
CCCS(=O)(=O)N1N=Cc2sc(C)cc2B1O,DB08605,"6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL"
CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB03612,3-Hydroxybutyryl-Coenzyme A
C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2,DB07494,"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE"
N#C/N=C1\SCCN1Cc1ccc(Cl)nc1,DB08620,Thiacloprid
O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1,DB11421,Imidacloprid
C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,DB16640,Almonertinib
Oc1ccc(Cc2nnc3ccc(-c4ccccc4)nn23)cc1,DB08111,"4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol"
CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1.Cl,DB05792,Arylacenamide
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1,DB06090,Bradanicline
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,DB01852,Kaempherol
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,DB07815,Gibberellin A4
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,DB07814,Gibberellic acid
COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O,DB04200,Matairesinol
CC(=O)Nc1ccc(CP(=O)([O-])O[C@@H](C)c2ccccc2)cc1,DB08545,(1S)-1-Phenylethyl (4-acetamidobenzyl)phosphonate
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,DB08430,PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
COc1ccc2c(c1)O[C@@H](O)C(=O)N2O,DB02185,"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One"
O.O=O.[O-][Cl+][O-].[O-][Cl+][O-].[O-][Cl+][O-].[O-][Cl+][O-],DB05389,Tetrachlorodecaoxide
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc(O)c1O,DB03923,Feruloyl Coenzyme A
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)C2(O)[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@@H]3OP(=O)(O)O)C2(C)C)cc(OC)c1O,DB03179,Sinapoyl coenzyme A
CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1,DB01958,"5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine"
Nc1nc(N)c2c(Sc3ccccc3)cccc2n1,DB04163,"5-Phenylsulfanyl-2,4-Quinazolinediamine"
COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1,DB02402,"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine"
CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21,DB07862,"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE"
Nc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2n1,DB02001,"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine"
Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1,DB04306,"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine"
COCC(COC)n1ccc2c3c(N)nc(N)nc3ccc21,DB08203,"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE"
CCOCCOCCOCCOCCOCCO,DB07344,"3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL"
O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O,DB04418,Adenylosuccinic acid
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(OP(=O)(O)O)ncnc32)[C@H](O)[C@@H]1O,DB03510,6-O-Phosphoryl Inosine Monophosphate
CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,DB05265,Ecabet
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O,DB02485,Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB03486,Phosphomethylphosphonic acid guanosyl ester
O=C(O)c1cc(O)c2c(c1)C(C1c3cc(C(=O)O)cc(O)c3C(=O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc31)c1cccc(OC3OC(CO)C(O)C(O)C3O)c1C2=O,DB11365,Sennosides
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,DB02082,Phosphoaminophosphonic acid guanylate ester
O=C(O)CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1,DB12852,MK-0752
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N/C=C\S,DB03738,Pantothenoylaminoethenethiol
O=C1CSC(c2nc3ccc(O)cc3s2)=N1,DB08326,"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE"
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O)[C@@H](NC(C)=O)[C@@H]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@@H]1O,DB04736,"2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE"
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,DB02596,"alpha,beta-Methyleneadenosine 5'-triphosphate"
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,DB00400,Griseofulvin
C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O,DB04072,Alpha-Methylisocitric Acid
O=C([O-])/C=C(/C(=O)[O-])[C@@H](O)C(=O)[O-],DB03964,4-Hydroxy-Aconitate Ion
COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2,DB11915,Valbenazine
O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,DB01116,Trimethaphan
COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O,DB14783,Diroximel fumarate
O=NN(CCCl)C(=O)NC1CCCCC1,DB01206,Lomustine
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)CCO,DB04516,2-Deoxy-Glucitol-6-Phosphate
O=P(O)(O)/C=C/[C@@H](O)[C@@H](O)[C@H](O)CCO,DB01840,2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate
CN1CCc2cc([N+](=O)[O-])c(O)cc2[C@@H](c2cccc3c2OCC3)C1,DB05419,ADX-10061
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnn[nH]4)cc3)c(F)c2)C(=O)O1,DB12339,Radezolid
N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O,DB04207,L-Saccharopine
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](CNC(=O)c1nccs1)C(=O)NO)C(C)(C)C,DB08733,"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE"
CC(C)C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)P(=O)(O)O,DB02046,N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C,DB02255,Ilomastat
CC(C)C[C@H](NC(=O)c1ccco1)C(=O)O,DB02215,Furoyl-Leucine
C=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,DB01675,Methacrylyl-Coenzyme A
CCCCCCCCSCC(=O)C(F)(F)F,DB08612,"1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE"
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,DB11328,Tetradecyl hydrogen sulfate (ester)
CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1,DB16217,Leniolisib
Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,DB09273,Doxofylline
N=C1S/C(=C\c2ccc(-c3ccc4c(c3)C(=O)N=C4O)o2)C(=O)N1c1ccc(Br)cc1,DB17493,Bioymifi
CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1,DB16200,Iptacopan
C[C@H](O)Cn1cnc2c(N)ncnc21,DB03000,S-9-(2-hydroxypropyl)adenine
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,DB00421,Spironolactone
Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,DB04485,Thymidine
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,DB15114,Vamorolone
CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1,DB12184,Gepirone
CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,DB01085,Pilocarpine
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1,DB15490,Zuranolone
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DB01280,Nelarabine
CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1,DB09065,Cobicistat
CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,DB01119,Diazoxide
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,DB00683,Midazolam
Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,DB15669,Fezolinetant
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,DB00755,Tretinoin
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,DB12236,Bexagliflozin
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,DB00953,Rizatriptan
CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12,DB11679,Fruquintinib
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,DB00795,Sulfasalazine
O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1,DB09128,Brexpiprazole
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,DB00770,Alprostadil
O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O,DB01250,Olsalazine
COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21,DB12483,Copanlisib
CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1,DB12005,Nirogacestat
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1,DB12548,Sparsentan
Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21,DB11967,Binimetinib
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,DB11763,Momelotinib
COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1,DB17472,Pirtobrutinib
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,DB14924,Ritlecitinib
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,DB12513,Omaveloxolone
Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,DB00692,Phentolamine
C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1,DB16826,Repotrectinib
O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21,DB14766,Etrasimod
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,DB06616,Bosutinib
COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,DB11718,Encorafenib
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O,DB15097,Gefapixant
NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,DB12218,Capivasertib
CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,DB00363,Clozapine
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O,DB01421,Paromomycin
C[C@H]1[C@@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]24OO3,DB11638,Artenimol