List of Ligand

No Ligand ID Drug Group Generic Name MW Edit Smile
7001 DB08714 experimental 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL 327.38 CC1=NOC(CCCOC2=C(C)C=C(C=C2C)N2N=NC(C)=N2)=C1
7002 DB08715 experimental 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL 326.39 CC1=NC(=CO1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1
7003 DB08717 experimental [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid 234.25 [H][C@@]1(CC(O)=O)NC2=CC=CC=C2CN(C)C1=O
7004 DB08718 experimental 4-(3-ethylthiophen-2-yl)benzene-1,2-diol 220.29 CCC1=C(SC=C1)C1=CC(O)=C(O)C=C1
7005 DB08719 experimental 5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE 348.82 CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1
7006 DB08720 experimental 5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole 314.38 CC1=NOC(CCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
7007 DB08721 experimental 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole 473.35 OCCOCOCC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
7008 DB08722 experimental 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole 390.90 [H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C(Cl)=C1
7009 DB08723 experimental 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE 383.27 CC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
7010 DB08724 experimental 5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole 328.41 [H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCC2=CC(C)=NO2)C=C1
7011 DB08725 experimental (S)-5-(7-(4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole 370.49 CC[C@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
7012 DB08726 experimental 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole 342.43 CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
7013 DB08727 experimental 3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole 356.46 C[C@@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
7014 DB08728 experimental 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole 355.22 CC1=NOC(CCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
7015 DB08729 experimental 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide 397.47 CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O
7016 DB08730 experimental 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE 444.50 FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1
7017 DB08731 experimental 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 403.38 [H][C@](CC(O)=O)(CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O
7018 DB08732 experimental NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE 398.45 [H][C@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CCO
7019 DB08733 experimental (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 455.57 [H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C
7020 DB08734 experimental 6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE 394.68 CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC(Cl)=C(Cl)C=C1Cl
7021 DB08735 experimental R,S-Warfarin alcohol 310.34 [H][C@@](C)(O)C[C@]([H])(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
7022 DB08736 experimental S,R-Warfarin alcohol 310.34 [H]C(C)(O)C[C@@]([H])(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2
7023 DB08737 experimental (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL 282.33 [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1
7024 DB08738 experimental 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one 444.53 [H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1
7025 DB08739 experimental 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione 405.40 [H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1
7026 DB08740 experimental CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE 243.39 [H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C
7027 DB08741 experimental 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine 354.40 [H][C@@]1(OC2=C(OC)C(OC)=CC(CC3=C(N)N=C(N)N=C3)=C2C=C1)C1CC1
7028 DB08742 experimental 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) 394.55 C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H]
7029 DB08743 experimental 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE 393.44 [H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C
7030 DB08744 experimental 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one 233.22 COC1=CC(=O)N(C)C2=C1C=CC1=C2OCO1
7031 DB08745 experimental 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE 475.00 ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1
7032 DB08746 experimental 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE 461.02 ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1
7033 DB08747 experimental (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one 445.34 [H][C@]1(N(C(C)=O)C2=CC=CC(O)=C2NC2=C1C(=O)CC(C)(C)C2)C1=C(Cl)C=C(Cl)C=C1
7034 DB08748 experimental 4-(DIMETHYLAMINO)BENZOIC ACID 165.19 CN(C)C1=CC=C(C=C1)C(O)=O
7035 DB08749 experimental 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE 418.53 CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1
7036 DB08750 experimental 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE 367.42 NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2
7037 DB08751 experimental N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE 293.28 CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O
7038 DB08752 experimental N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide 405.53 [H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N
7039 DB08753 experimental 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE 367.40 CC(=O)OC1=CC=C(\C=C\C(=O)NCCC2=CC=CC=C2)C=C1OC(C)=O
7040 DB08754 experimental (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE 299.32 OC1=CC=C(CCNC(=O)\C=C\C2=CC=C(O)C(O)=C2)C=C1
7041 DB08755 experimental N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide 456.58 [H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N
7042 DB08756 experimental (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE 247.34 [H][C@](C)(N)[C@@]1([H])CC[C@@]([H])(CC1)C(=O)NC1=CC=NC=C1
7043 DB08757 experimental 5-(2-chlorophenyl)furan-2-carbohydrazide 236.65 NNC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl
7044 DB08758 experimental IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE 226.23 NNC(=O)C1=CN2C=CC3=C(C=CC=C3)C2=N1
7045 DB08759 experimental [(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID 266.27 [H][C@](C)(CO)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C[P@@]([H])(O)=O
7046 DB08760 experimental (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid 276.72 [H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O
7047 DB08761 experimental (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione 326.35 [H][C@@]1(CC2=CC=C(O)C=C2)NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC1=O
7048 DB08762 experimental O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID 478.43 [H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@]([H])(C)[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O
7049 DB08763 experimental [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE 363.31 [H][C@](NC(=O)OCC1=CC=CC=C1)(C1=CC=C(C=C1)C(N)=N)P(O)(O)=O
7050 DB08765 experimental 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE 230.26 NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2
7051 DB08766 experimental Zofenoprilat 325.45 C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1
7052 DB08767 experimental 2-(4-METHOXYPHENYL)ACETAMIDE 165.19 COC1=CC=C(CC(N)=O)C=C1
7053 DB08768 experimental N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE 203.24 CC(C)=CCNC1=C2N=CNC2=NC=N1
7054 DB08770 experimental 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol 337.34 NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1
7055 DB08771 experimental (5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one 252.31 CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O
7056 DB08772 experimental 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID 419.38 OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2
7057 DB08773 experimental 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol 242.29 OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2
7058 DB08774 experimental 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine 309.37 [H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1
7059 DB08775 experimental Benzoyl-tyrosine-alanine-fluoro-methyl ketone 402.42 C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CF
7060 DB08776 experimental N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE 225.27 CC(=O)NC1=NC2=C(S1)C(=O)NCCC2
7061 DB08777 experimental 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE 206.26 O=C1NC=NC2=C1C1=C(CCCC1)S2
7062 DB08778 experimental [4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone 275.37 CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1
7063 DB08779 experimental 2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol 226.32 CSC1=NC(O)=C(CC2=CC=CS2)N1
7064 DB08780 experimental 6-MORPHOLIN-4-YL-9H-PURINE 205.22 C1CN(CCO1)C1=C2N=CNC2=NC=N1
7065 DB08781 experimental 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE 312.17 [H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2
7066 DB08782 experimental 4-(2-AMINOETHYL)BENZENESULFONAMIDE 200.26 NCCC1=CC=C(C=C1)S(N)(=O)=O
7067 DB08783 experimental (4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid 404.32 [H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC
7068 DB08784 experimental 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID 248.67 OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1
7069 DB08785 experimental 4-METHYL-2H-CHROMEN-2-ONE 160.17 CC1=CC(=O)OC2=CC=CC=C12
7070 DB08786 experimental 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine 183.21 COCCOC1=NC(N)=NC(C)=C1
7071 DB08787 experimental 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine 344.20 NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1
7072 DB08788 experimental 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE 353.40 CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O
7073 DB08789 experimental 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE 367.25 CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1
7074 DB08790 experimental 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID 188.18 OC(=O)C1=CN(N=C1)C1=CC=CC=C1
7075 DB08791 experimental 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE 346.32 NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
7076 DB08792 experimental Diloxanide 234.08 CN(C(=O)C(Cl)Cl)C1=CC=C(O)C=C1
7077 DB08794 withdrawn Ethyl biscoumacetate 408.36 CCOC(=O)C(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O
7078 DB08795 experimental Azidocillin 375.40 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O
7079 DB08796 experimental Pipazethate 399.51 O=C(OCCOCCN1CCCCC1)N1C2=CC=CC=C2SC2=C1N=CC=C2
7080 DB08797 approved Salicylamide 137.14 NC(=O)C1=CC=CC=C1O
7081 DB08798 experimental Sulfamoxole 267.30 CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1
7082 DB08799 approved Antazoline 265.35 C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1
7083 DB08800 experimental Chloropyramine 289.80 CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1
7084 DB08801 approved; investigational Dimetindene 292.42 CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1
7085 DB08802 experimental Isothipendyl 285.41 CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C
7086 DB08803 experimental Tymazoline 232.32 CC(C)C1=C(OCC2=NCCN2)C=C(C)C=C1
7087 DB08804 approved; illicit Nandrolone decanoate 428.65 CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
7088 DB08805 experimental Metiamide 244.38 CNC(=S)NCCSCC1=C(C)NC=N1
7089 DB08806 experimental Roxatidine acetate 348.44 CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1
7090 DB08807 experimental Bopindolol 380.48 CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1
7091 DB08808 experimental Bupranolol 271.78 CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1
7092 DB08809 approved; investigational Dichloroacetic acid 128.94 OC(=O)C(Cl)Cl
7093 DB08810 investigational Cinitapride 402.49 CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O
7094 DB08811 experimental Tofisopam 382.45 CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1
7095 DB08814 approved; investigational Triflusal 248.16 CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O
7096 DB08815 approved; investigational Lurasidone 492.68 [H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O
7097 DB08816 approved Ticagrelor 522.57 CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1
7098 DB08818 approved; vet_approved Hyaluronic acid 776.65 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
7099 DB08819 approved Tafluprost 452.53 CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1
7100 DB08820 approved Ivacaftor 392.49 CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C

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