,Unnamed: 0.6,Unnamed: 0.5,Unnamed: 0.4,Unnamed: 0.3,Unnamed: 0.2,Unnamed: 0.1,Unnamed: 0,id,name,source,type,SMILES,Inter_ID
0,0,0,0,0,0,0,0,DB04513,N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide,DrugBank,drug,NCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl,DRUG_0
1,1,1,1,1,1,1,1,DB04876,Vildagliptin,DrugBank,drug,OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N,DRUG_1
2,2,2,2,2,2,2,2,DB05264,NPI 32101,DrugBank,drug,,DRUG_2
3,3,3,3,3,3,3,3,DB06945,N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide,DrugBank,drug,ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1,DRUG_3
4,4,4,4,4,4,4,4,DB14881,Oliceridine,DrugBank,drug,COC1=C(CNCC[C@]2(CCOC3(CCCC3)C2)C2=NC=CC=C2)SC=C1,DRUG_4
5,5,5,5,5,5,5,5,DB12522,Toreforant,DrugBank,drug,CN1CCC(CCCNC2=NC=C(C3=NC4=C(C)C=C(C)C=C4N3)C(C)=N2)CC1,DRUG_5
6,6,6,6,6,6,6,6,DB02459,4-guanidinobenzoic acid,DrugBank,drug,NC(=N)NC1=CC=C(C=C1)C(O)=O,DRUG_6
7,7,7,7,7,7,7,7,DB02297,2-Amino-6-Chloropyrazine,DrugBank,drug,NC1=CN=CC(Cl)=N1,DRUG_7
8,8,8,8,8,8,8,8,DB14526,Chromic citrate,DrugBank,drug,[Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_8
9,9,9,9,9,9,9,9,DB12246,Inclacumab,DrugBank,drug,,DRUG_9
10,10,10,10,10,10,10,10,DB03988,"2,6-Diamino-Hexanoic Acid Amide",DrugBank,drug,N[C@@H](CCCC[NH3+])C(N)=O,DRUG_10
11,11,11,11,11,11,11,11,DB04571,Trioxsalen,DrugBank,drug,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1,DRUG_11
12,12,12,12,12,12,12,12,DB06014,Eteplirsen,DrugBank,drug,,DRUG_12
13,13,13,13,13,13,13,13,DB12092,Naftopidil,DrugBank,drug,COC1=CC=CC=C1N1CCN(CC(O)COC2=CC=CC3=CC=CC=C23)CC1,DRUG_13
14,14,14,14,14,14,14,14,DB13821,Ceftezole,DrugBank,drug,OC(=O)C1=C(CSC2=NN=CS2)CS[C@@H]2[C@H](NC(=O)CN3C=NN=N3)C(=O)N12,DRUG_14
15,15,15,15,15,15,15,15,DB05455,SR 121463,DrugBank,drug,,DRUG_15
16,16,16,16,16,16,16,16,DB02973,4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O,DRUG_16
17,17,17,17,17,17,17,17,DB07325,N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE,DrugBank,drug,CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1,DRUG_17
18,18,18,18,18,18,18,18,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",DrugBank,drug,[H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1,DRUG_18
19,19,19,19,19,19,19,19,DB13304,Triaziquone,DrugBank,drug,O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1,DRUG_19
20,20,20,20,20,20,20,20,DB00151,Cysteine,DrugBank,drug,N[C@@H](CS)C(O)=O,DRUG_20
21,21,21,21,21,21,21,21,DB01215,Estazolam,DrugBank,drug,ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1,DRUG_21
22,22,22,22,22,22,22,22,DB08262,"2,6-dicarboxynaphthalene",DrugBank,drug,OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O,DRUG_22
23,23,23,23,23,23,23,23,DB00065,Infliximab,DrugBank,drug,,DRUG_23
24,24,24,24,24,24,24,24,DB14600,Edetate disodium anhydrous,DrugBank,drug,[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O,DRUG_24
25,25,25,25,25,25,25,25,DB03909,"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate",DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_25
26,26,26,26,26,26,26,26,DB01413,Cefepime,DrugBank,drug,CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1,DRUG_26
27,27,27,27,27,27,27,27,DB00445,Epirubicin,DrugBank,drug,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,DRUG_27
28,28,28,28,28,28,28,28,DB13022,LY-2874455,DrugBank,drug,C[C@@H](OC1=CC=C2NN=C(\C=C\C3=CN(CCO)N=C3)C2=C1)C1=C(Cl)C=NC=C1Cl,DRUG_28
29,29,29,29,29,29,29,29,DB08383,"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole",DrugBank,drug,COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1,DRUG_29
30,30,30,30,30,30,30,30,DB00516,Bentoquatam,DrugBank,drug,,DRUG_30
31,31,31,31,31,31,31,31,DB02806,2-Methoxyethanol,DrugBank,drug,COCCO,DRUG_31
32,32,32,32,32,32,32,32,DB08760,(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O,DRUG_32
33,33,33,33,33,33,33,33,DB06057,EVT 302,DrugBank,drug,,DRUG_33
34,34,34,34,34,34,34,34,DB16683,Foslevodopa,DrugBank,drug,N[C@@H](CC1=CC=C(OP(O)(O)=O)C(O)=C1)C(O)=O,DRUG_34
35,35,35,35,35,35,35,35,DB07790,N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE,DrugBank,drug,COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1,DRUG_35
36,36,36,36,36,36,36,36,DB11907,Rociletinib,DrugBank,drug,COC1=CC(=CC=C1NC1=NC=C(C(NC2=CC=CC(NC(=O)C=C)=C2)=N1)C(F)(F)F)N1CCN(CC1)C(C)=O,DRUG_36
37,37,37,37,37,37,37,37,DB07162,4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide,DrugBank,drug,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1,DRUG_37
38,38,38,38,38,38,38,38,DB08195,(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE,DrugBank,drug,[H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N,DRUG_38
39,39,39,39,39,39,39,39,DB13401,Metildigoxin,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(O)[C@]([H])(OC)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1,DRUG_39
40,40,40,40,40,40,40,40,DB04883,Darusentan,DrugBank,drug,COC1=CC(OC)=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C2=CC=CC=C2)=N1,DRUG_40
41,41,41,41,41,41,41,41,DB03354,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(C2=NN=C(C)O2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_41
42,42,42,42,42,42,42,42,DB06928,(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID,DrugBank,drug,[H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O,DRUG_42
43,43,43,43,43,43,43,43,DB02180,Myristoyl-Coa,DrugBank,drug,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_43
44,44,44,44,44,44,44,44,DB01160,Dinoprost tromethamine,DrugBank,drug,NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_44
45,45,45,45,45,45,45,45,DB00202,Succinylcholine,DrugBank,drug,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,DRUG_45
46,46,46,46,46,46,46,46,DB02436,{4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid,DrugBank,drug,CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,DRUG_46
47,47,47,47,47,47,47,47,DB00552,Pentostatin,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O,DRUG_47
48,48,48,48,48,48,48,48,DB14993,Pyrotinib,DrugBank,drug,CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C2C(=C1)N=CC(C#N)=C2NC1=CC=C(OCC2=NC=CC=C2)C(Cl)=C1,DRUG_48
49,49,49,49,49,49,49,49,DB12906,LY-2334737,DrugBank,drug,CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,DRUG_49
50,50,50,50,50,50,50,50,DB13338,Flurithromycin,DrugBank,drug,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]([C@H]2O)N(C)C)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,DRUG_50
51,51,51,51,51,51,51,51,DB01116,Trimethaphan,DrugBank,drug,O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1,DRUG_51
52,52,52,52,52,52,52,52,DB08804,Nandrolone decanoate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_52
53,53,53,53,53,53,53,53,DB11868,Etiracetam,DrugBank,drug,CCC(N1CCCC1=O)C(N)=O,DRUG_53
54,54,54,54,54,54,54,54,DB07118,Hymecromone,DrugBank,drug,CC1=CC(=O)OC2=C1C=CC(O)=C2,DRUG_54
55,55,55,55,55,55,55,55,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",DrugBank,drug,[H]N([H])N1C(=O)N([H])[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DRUG_55
56,56,56,56,56,56,56,56,DB01333,Cefradine,DrugBank,drug,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,DRUG_56
57,57,57,57,57,57,57,57,DB08497,"(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",DrugBank,drug,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1,DRUG_57
58,58,58,58,58,58,58,58,DB10962,Agrostis stolonifera pollen,DrugBank,drug,,DRUG_58
59,59,59,59,59,59,59,59,DB06061,AZD-8330,DrugBank,drug,CN1C(=O)C(C)=CC(C(=O)NOCCO)=C1NC1=CC=C(I)C=C1F,DRUG_59
60,60,60,60,60,60,60,60,DB02924,"(4R)-limonene 1α,2α-epoxide",DrugBank,drug,CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1,DRUG_60
61,61,61,61,61,61,61,61,DB12474,Lynestrenol,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,DRUG_61
62,62,62,62,62,62,62,62,DB09091,Tixocortol,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_62
63,63,63,63,63,63,63,63,DB06359,G4460,DrugBank,drug,,DRUG_63
64,64,64,64,64,64,64,64,DB06666,Lixivaptan,DrugBank,drug,CC1=CC=C(F)C=C1C(=O)NC1=CC=C(C(=O)N2CC3=CC=CN3CC3=C2C=CC=C3)C(Cl)=C1,DRUG_64
65,65,65,65,65,65,65,65,DB12213,Etaracizumab,DrugBank,drug,,DRUG_65
66,66,66,66,66,66,66,66,DB04733,"1,6-DI-O-PHOSPHONO-D-MANNITOL",DrugBank,drug,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_66
67,67,67,67,67,67,67,67,DB08299,"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1,DRUG_67
68,68,68,68,68,68,68,68,DB02531,Isobutyric acid,DrugBank,drug,CC(C)C(O)=O,DRUG_68
69,69,69,69,69,69,69,69,DB08410,PARA-NITROBENZYL GLUTARYL GLYCINIC ACID,DrugBank,drug,OC(=O)CNC(=O)CCCC(=O)NCC1=CC=C(C=C1)[N+]([O-])=O,DRUG_69
70,70,70,70,70,70,70,70,DB06688,Sipuleucel-T,DrugBank,drug,,DRUG_70
71,71,71,71,71,71,71,71,DB11044,Influenza B virus B/Brisbane/60/2008 antigen (propiolactone inactivated),DrugBank,drug,,DRUG_71
72,72,72,72,72,72,72,72,DB13177,4-methylumbelliferyl beta-D-glucoside,DrugBank,drug,CC1=CC(=O)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C12,DRUG_72
73,73,73,73,73,73,73,73,DB02930,Adenosine 5'-[gamma-thio]triphosphate,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O,DRUG_73
74,74,74,74,74,74,74,74,DB12209,Tirasemtiv,DrugBank,drug,CCC(CC)N1C(=O)NC2=NC=C(N=C12)C#C,DRUG_74
75,75,75,75,75,75,75,75,DB13767,Vorozole,DrugBank,drug,CN1N=NC2=CC=C(C=C12)[C@@H](N1C=NC=N1)C1=CC=C(Cl)C=C1,DRUG_75
76,76,76,76,76,76,76,76,DB02621,Latrunculin A,DrugBank,drug,[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1,DRUG_76
77,77,77,77,77,77,77,77,DB00192,Indecainide,DrugBank,drug,CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12,DRUG_77
78,78,78,78,78,78,78,78,DB04079,"Heptane-1,2,3-Triol",DrugBank,drug,[H][C@@](O)(CO)[C@]([H])(O)CCCC,DRUG_78
79,79,79,79,79,79,79,79,DB03903,Tmr,DrugBank,drug,CN(C)C1=CCC2=C(C3=CC=C(C=C3OC2=C1)N(C)C)C1=CC=C(C=C1C(O)=O)N1C(=O)C=CC1=O,DRUG_79
80,80,80,80,80,80,80,80,DB12891,Ozanezumab,DrugBank,drug,,DRUG_80
81,81,81,81,81,81,81,81,DB13300,Epicillin,DrugBank,drug,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CCC=CC3)C(=O)N2[C@H]1C(O)=O,DRUG_81
82,82,82,82,82,82,82,82,DB02258,SR11254,DrugBank,drug,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O,DRUG_82
83,83,83,83,83,83,83,83,DB02367,(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine,DrugBank,drug,CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O,DRUG_83
84,84,84,84,84,84,84,84,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,DrugBank,drug,CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_84
85,85,85,85,85,85,85,85,DB13633,Mepartricin,DrugBank,drug,,DRUG_85
86,86,86,86,86,86,86,86,DB00364,Sucralfate,DrugBank,drug,O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O,DRUG_86
87,87,87,87,87,87,87,87,DB07026,"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE",DrugBank,drug,[H][C@]12CN(C[C@]([H])(O1)[C@@]([H])(O2)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NO,DRUG_87
88,88,88,88,88,88,88,88,DB06958,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE",DrugBank,drug,CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O,DRUG_88
89,89,89,89,89,89,89,89,DB13677,Carboquone,DrugBank,drug,COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O,DRUG_89
90,90,90,90,90,90,90,90,DB06734,Bafilomycin B1,DrugBank,drug,CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C,DRUG_90
91,91,91,91,91,91,91,91,DB12034,Gantenerumab,DrugBank,drug,,DRUG_91
92,92,92,92,92,92,92,92,DB00799,Tazarotene,DrugBank,drug,CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1,DRUG_92
93,93,93,93,93,93,93,93,DB06844,"4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE",DrugBank,drug,O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,DRUG_93
94,94,94,94,94,94,94,94,DB15971,Clorotepine,DrugBank,drug,CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C1C=C(Cl)C=C2,DRUG_94
95,95,95,95,95,95,95,95,DB09194,Etoperidone,DrugBank,drug,CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC,DRUG_95
96,96,96,96,96,96,96,96,DB00556,Perflutren,DrugBank,drug,FC(F)(F)C(F)(F)C(F)(F)F,DRUG_96
97,97,97,97,97,97,97,97,DB00274,Cefmetazole,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O,DRUG_97
98,98,98,98,98,98,98,98,DB04223,Nitroarginine,DrugBank,drug,N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O,DRUG_98
99,99,99,99,99,99,99,99,DB04345,Lumichrome,DrugBank,drug,CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3,DRUG_99
100,100,100,100,100,100,100,100,DB00383,Oxyphencyclimine,DrugBank,drug,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,DRUG_100
101,101,101,101,101,101,101,101,DB17039,Nutlin-3,DrugBank,drug,COC1=CC(OC(C)C)=C(C=C1)C1=N[C@H]([C@H](N1C(=O)N1CCNC(=O)C1)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,DRUG_101
102,102,102,102,102,102,102,102,DB14904,Pimasertib,DrugBank,drug,OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1,DRUG_102
103,103,103,103,103,103,103,103,DB06638,Quarfloxin,DrugBank,drug,CN1CCC[C@H]1CCNC(=O)C1=CN2C3=C(OC4=C2C(=CC(F)=C4N2CCC(C2)C2=CN=CC=N2)C1=O)C=C1C=CC=CC1=C3,DRUG_103
104,104,104,104,104,104,104,104,DB08876,Taliglucerase alfa,DrugBank,drug,,DRUG_104
105,105,105,105,105,105,105,105,DB00142,Glutamic acid,DrugBank,drug,N[C@@H](CCC(O)=O)C(O)=O,DRUG_105
106,106,106,106,106,106,106,106,DB16656,Zotiraciclib,DrugBank,drug,CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2,DRUG_106
107,107,107,107,107,107,107,107,DB14646,Prednisone acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_107
108,108,108,108,108,108,108,108,DB08874,Fidaxomicin,DrugBank,drug,[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)C4=C(CC)C(Cl)=C(O)C(Cl)=C4O)[C@H](O)[C@@H]3OC)\C(=O)O[C@@H](C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O,DRUG_108
109,109,109,109,109,109,109,109,DB00111,Daclizumab,DrugBank,drug,,DRUG_109
110,110,110,110,110,110,110,110,DB12090,Patritumab,DrugBank,drug,,DRUG_110
111,111,111,111,111,111,111,111,DB06322,Carotuximab,DrugBank,drug,,DRUG_111
112,112,112,112,112,112,112,112,DB04878,Voglibose,DrugBank,drug,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_112
113,113,113,113,113,113,113,113,DB07168,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile,DrugBank,drug,CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1,DRUG_113
114,114,114,114,114,114,114,114,DB13104,X-396,DrugBank,drug,C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1CCN(C)CC1)C1=C(Cl)C=CC(F)=C1Cl,DRUG_114
115,115,115,115,115,115,115,115,DB15263,Thyrotropin,DrugBank,drug,,DRUG_115
116,116,116,116,116,116,116,116,DB11757,Istradefylline,DrugBank,drug,[H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC,DRUG_116
117,117,117,117,117,117,117,117,DB02568,Peldesine,DrugBank,drug,NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2,DRUG_117
118,118,118,118,118,118,118,118,DB07138,Neflamapimod,DrugBank,drug,FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1,DRUG_118
119,119,119,119,119,119,119,119,DB02417,"2,4,6-Tribromophenol",DrugBank,drug,OC1=C(Br)C=C(Br)C=C1Br,DRUG_119
120,120,120,120,120,120,120,120,DB16701,Plasminogen,DrugBank,drug,,DRUG_120
121,121,121,121,121,121,121,121,DB01544,Flunitrazepam,DrugBank,drug,CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F,DRUG_121
122,122,122,122,122,122,122,122,DB01265,Telbivudine,DrugBank,drug,CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O,DRUG_122
123,123,123,123,123,123,123,123,DB02710,"2,3,-Dihydroxybenzoylserine",DrugBank,drug,[H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O,DRUG_123
124,124,124,124,124,124,124,124,DB04813,Bithionol,DrugBank,drug,OC1=C(SC2=C(O)C(Cl)=CC(Cl)=C2)C=C(Cl)C=C1Cl,DRUG_124
125,125,125,125,125,125,125,125,DB16217,Leniolisib,DrugBank,drug,CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F,DRUG_125
126,126,126,126,126,126,126,126,DB05950,Contulakin-G,DrugBank,drug,,DRUG_126
127,127,127,127,127,127,127,127,DB13801,Muzolimine,DrugBank,drug,CC(N1N=C(N)CC1=O)C1=CC(Cl)=C(Cl)C=C1,DRUG_127
128,128,128,128,128,128,128,128,DB11323,Glycol salicylate,DrugBank,drug,OCCOC(=O)C1=CC=CC=C1O,DRUG_128
129,129,129,129,129,129,129,129,DB01793,SB-409513,DrugBank,drug,OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl,DRUG_129
130,130,130,130,130,130,130,130,DB08024,(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine,DrugBank,drug,N[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N1CCC[C@H]1C#N,DRUG_130
131,131,131,131,131,131,131,131,DB08800,Chloropyramine,DrugBank,drug,CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1,DRUG_131
132,132,132,132,132,132,132,132,DB12364,Betrixaban,DrugBank,drug,COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC1=CC=C(Cl)C=N1,DRUG_132
133,133,133,133,133,133,133,133,DB00022,Peginterferon alfa-2b,DrugBank,drug,,DRUG_133
134,134,134,134,134,134,134,134,DB14256,Centella asiatica,DrugBank,drug,,DRUG_134
135,135,135,135,135,135,135,135,DB00987,Cytarabine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_135
136,136,136,136,136,136,136,136,DB11803,Sirukumab,DrugBank,drug,,DRUG_136
137,137,137,137,137,137,137,137,DB02398,6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine,DrugBank,drug,NCC1=CC=C(NC(=O)C2=CC=C3C=C(C=CC3=C2)C(N)=N)C=C1,DRUG_137
138,138,138,138,138,138,138,138,DB03154,{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid,DrugBank,drug,OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O,DRUG_138
139,139,139,139,139,139,139,139,DB03009,2-{[2-Oxo-2-(1-piperidinyl)ethyl]sulfanyl}-6-(trifluoromethyl)-4(1H)-pyrimidinone,DrugBank,drug,[H]N1C(SCC(=O)N2CCCCC2)=NC(=O)C=C1C(F)(F)F,DRUG_139
140,140,140,140,140,140,140,140,DB16607,Lithium chloride,DrugBank,drug,[Li]Cl,DRUG_140
141,141,141,141,141,141,141,141,DB12596,Combretastatin,DrugBank,drug,COC1=CC=C(C[C@@H](O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1O,DRUG_141
142,142,142,142,142,142,142,142,DB11087,Pyrethrum extract,DrugBank,drug,,DRUG_142
143,143,143,143,143,143,143,143,DB06643,Denosumab,DrugBank,drug,,DRUG_143
144,144,144,144,144,144,144,144,DB07605,"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE",DrugBank,drug,[O-][N+]1=CC=CC2=C1C=C(S2)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,DRUG_144
145,145,145,145,145,145,145,145,DB07860,(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE,DrugBank,drug,[H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_145
146,146,146,146,146,146,146,146,DB02774,"1,3-Propanediol",DrugBank,drug,OCCCO,DRUG_146
147,147,147,147,147,147,147,147,DB04348,Taurocholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,DRUG_147
148,148,148,148,148,148,148,148,DB14723,Larotrectinib,DrugBank,drug,O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1,DRUG_148
149,149,149,149,149,149,149,149,DB02852,Domoic Acid,DrugBank,drug,[H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O,DRUG_149
150,150,150,150,150,150,150,150,DB06785,Ganirelix,DrugBank,drug,CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_150
151,151,151,151,151,151,151,151,DB05668,Palifosfamide,DrugBank,drug,OP(=O)(NCCCl)NCCCl,DRUG_151
152,152,152,152,152,152,152,152,DB17051,SB-218078,DrugBank,drug,O=C1NC(=O)C2=C1C1=C3N(C4CCC(O4)N4C5=C(C=CC=C5)C2=C34)C2=C1C=CC=C2,DRUG_152
153,153,153,153,153,153,153,153,DB02123,Glycochenodeoxycholic Acid,DrugBank,drug,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]3CC[C@]12C,DRUG_153
154,154,154,154,154,154,154,154,DB15283,Tebentafusp,DrugBank,drug,,DRUG_154
155,155,155,155,155,155,155,155,DB12879,Omigapil,DrugBank,drug,CN(CC#C)CC1=CC2=CC=CC=C2OC2=CC=CC=C12,DRUG_155
156,156,156,156,156,156,156,156,DB00925,Phenoxybenzamine,DrugBank,drug,CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1,DRUG_156
157,157,157,157,157,157,157,157,DB03850,Jaspisamide A,DrugBank,drug,[H]\C(C[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)C[C@]([H])(O)CC(=O)[C@]([H])(C)[C@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\CC[C@@]1([H])C)OC)=C(\[H])N(C)CO,DRUG_157
158,158,158,158,158,158,158,158,DB12344,Fezakinumab,DrugBank,drug,,DRUG_158
159,159,159,159,159,159,159,159,DB03462,Thymine,DrugBank,drug,CC1=CNC(=O)NC1=O,DRUG_159
160,160,160,160,160,160,160,160,DB06492,Mirococept,DrugBank,drug,,DRUG_160
161,161,161,161,161,161,161,161,DB01644,"3,6-dihydroxy-xanthene-9-propionic acid",DrugBank,drug,OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2,DRUG_161
162,162,162,162,162,162,162,162,DB13711,Tritoqualine,DrugBank,drug,CCOC1=C(OCC)C(OCC)=C(N)C2=C1C(OC2=O)C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12,DRUG_162
163,163,163,163,163,163,163,163,DB07431,"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one",DrugBank,drug,[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1,DRUG_163
164,164,164,164,164,164,164,164,DB07080,TO-901317,DrugBank,drug,OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F,DRUG_164
165,165,165,165,165,165,165,165,DB02526,CRA_10655,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],DRUG_165
166,166,166,166,166,166,166,166,DB05362,SSR-126517E,DrugBank,drug,,DRUG_166
167,167,167,167,167,167,167,167,DB08389,"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE",DrugBank,drug,[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1,DRUG_167
168,168,168,168,168,168,168,168,DB04862,Merimepodib,DrugBank,drug,COC1=C(C=CC(NC(=O)NC2=CC=CC(CNC(=O)O[C@H]3CCOC3)=C2)=C1)C1=CN=CO1,DRUG_168
169,169,169,169,169,169,169,169,DB02388,"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",DrugBank,drug,CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1,DRUG_169
170,170,170,170,170,170,170,170,DB09532,Secretin human,DrugBank,drug,,DRUG_170
171,171,171,171,171,171,171,171,DB01288,Fenoterol,DrugBank,drug,CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1,DRUG_171
172,172,172,172,172,172,172,172,DB04238,N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid,DrugBank,drug,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC[C@]1([H])C(O)=O,DRUG_172
173,173,173,173,173,173,173,173,DB07352,Apigenin,DrugBank,drug,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,DRUG_173
174,174,174,174,174,174,174,174,DB09264,Idarucizumab,DrugBank,drug,,DRUG_174
175,175,175,175,175,175,175,175,DB07765,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",DrugBank,drug,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1,DRUG_175
176,176,176,176,176,176,176,176,DB11327,Dipyrithione,DrugBank,drug,[O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-],DRUG_176
177,177,177,177,177,177,177,177,DB11619,Gestrinone,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_177
178,178,178,178,178,178,178,178,DB14712,Elapegademase,DrugBank,drug,,DRUG_178
179,179,179,179,179,179,179,179,DB18011,BMS-986278,DrugBank,drug,CCCN(C)C(=O)OCC1=C(N=NN1C)C1=CC=C(O[C@H]2CCC[C@@H](C2)C(O)=O)C(C)=N1,DRUG_179
180,180,180,180,180,180,180,180,DB15132,AZD-8165,DrugBank,drug,CCC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCC1=C(C=CC(Cl)=C1)N1C=NN=N1)C1=CC=C(F)C=C1,DRUG_180
181,181,181,181,181,181,181,181,DB15048,Licogliflozin,DrugBank,drug,CCC1=CC=C(C=C1CC1=CC2=C(OCCO2)C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_181
182,182,182,182,182,182,182,182,DB07912,2-OXOHEPTYLPHOSPHONIC ACID,DrugBank,drug,CCCCCC(=O)CP(O)(O)=O,DRUG_182
183,183,183,183,183,183,183,183,DB08498,"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",DrugBank,drug,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC(Cl)=C1,DRUG_183
184,184,184,184,184,184,184,184,DB13635,Tiracizine,DrugBank,drug,CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN(C)C)C=C1,DRUG_184
185,185,185,185,185,185,185,185,DB08953,Indalpine,DrugBank,drug,C(CC1=CNC2=CC=CC=C12)C1CCNCC1,DRUG_185
186,186,186,186,186,186,186,186,DB05034,Ularitide,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O,DRUG_186
187,187,187,187,187,187,187,187,DB13166,Zofenopril,DrugBank,drug,C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,DRUG_187
188,188,188,188,188,188,188,188,DB02106,"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid",DrugBank,drug,OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1,DRUG_188
189,189,189,189,189,189,189,189,DB19090,Baxdrostat,DrugBank,drug,CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C1=CC=C2N(C)C(=O)CCC2=C1,DRUG_189
190,190,190,190,190,190,190,190,DB00712,Flurbiprofen,DrugBank,drug,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,DRUG_190
191,191,191,191,191,191,191,191,DB04827,Urethane,DrugBank,drug,CCOC(N)=O,DRUG_191
192,192,192,192,192,192,192,192,DB07137,(2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide,DrugBank,drug,C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O,DRUG_192
193,193,193,193,193,193,193,193,DB13203,Bamifylline,DrugBank,drug,CCN(CCO)CCN1C(CC2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_193
194,194,194,194,194,194,194,194,DB00337,Pimecrolimus,DrugBank,drug,[H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC,DRUG_194
195,195,195,195,195,195,195,195,DB00401,Nisoldipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C,DRUG_195
196,196,196,196,196,196,196,196,DB07286,BMS-564929,DrugBank,drug,[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=C(C)C(Cl)=C(C=C1)C#N,DRUG_196
197,197,197,197,197,197,197,197,DB00134,Methionine,DrugBank,drug,CSCC[C@H](N)C(O)=O,DRUG_197
198,198,198,198,198,198,198,198,DB00317,Gefitinib,DrugBank,drug,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,DRUG_198
199,199,199,199,199,199,199,199,DB01819,Phosphoenolpyruvate,DrugBank,drug,OC(=O)C(=C)OP(O)(O)=O,DRUG_199
200,200,200,200,200,200,200,200,DB01055,Mimosine,DrugBank,drug,N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O,DRUG_200
201,201,201,201,201,201,201,201,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",DrugBank,drug,OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F,DRUG_201
202,202,202,202,202,202,202,202,DB07029,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE",DrugBank,drug,CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1,DRUG_202
203,203,203,203,203,203,203,203,DB13592,Etamiphylline,DrugBank,drug,CCN(CC)CCN1C=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_203
204,204,204,204,204,204,204,204,DB15321,Tefinostat,DrugBank,drug,ONC(=O)CCCCCCC(=O)NC1=CC=C(CN[C@H](C(=O)OC2CCCC2)C2=CC=CC=C2)C=C1,DRUG_204
205,205,205,205,205,205,205,205,DB02255,Ilomastat,DrugBank,drug,CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)CC(=O)NO,DRUG_205
206,206,206,206,206,206,206,206,DB12818,NM-3,DrugBank,drug,COC1=CC(O)=C2C(=O)OC(=CC2=C1)C(C)C(O)=O,DRUG_206
207,207,207,207,207,207,207,207,DB05018,Migalastat,DrugBank,drug,OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,DRUG_207
208,208,208,208,208,208,208,208,DB07263,"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid",DrugBank,drug,[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_208
209,209,209,209,209,209,209,209,DB00913,Anileridine,DrugBank,drug,CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1,DRUG_209
210,210,210,210,210,210,210,210,DB11829,Ruboxistaurin,DrugBank,drug,CN(C)C[C@@H]1CCN2C=C(C3=C2C=CC=C3)C2=C(C(=O)NC2=O)C2=CN(CCO1)C1=C2C=CC=C1,DRUG_210
211,211,211,211,211,211,211,211,DB01877,"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide",DrugBank,drug,CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,DRUG_211
212,212,212,212,212,212,212,212,DB07751,"(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DrugBank,drug,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,DRUG_212
213,213,213,213,213,213,213,213,DB08828,Vismodegib,DrugBank,drug,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1,DRUG_213
214,214,214,214,214,214,214,214,DB00359,Sulfadiazine,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1,DRUG_214
215,215,215,215,215,215,215,215,DB08099,"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine",DrugBank,drug,[H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1,DRUG_215
216,216,216,216,216,216,216,216,DB12240,Polatuzumab vedotin,DrugBank,drug,,DRUG_216
217,217,217,217,217,217,217,217,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,DrugBank,drug,[H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C,DRUG_217
218,218,218,218,218,218,218,218,DB14740,Hyaluronidase,DrugBank,drug,,DRUG_218
219,219,219,219,219,219,219,219,DB05142,ND7001,DrugBank,drug,,DRUG_219
220,220,220,220,220,220,220,220,DB00608,Chloroquine,DrugBank,drug,CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12,DRUG_220
221,221,221,221,221,221,221,221,DB04126,N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane,DrugBank,drug,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C,DRUG_221
222,222,222,222,222,222,222,222,DB06043,Olaratumab,DrugBank,drug,,DRUG_222
223,223,223,223,223,223,223,223,DB05562,Naluzotan,DrugBank,drug,CC(=O)NC1=CC=CC(=C1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1,DRUG_223
224,224,224,224,224,224,224,224,DB02513,Thymol,DrugBank,drug,CC(C)C1=C(O)C=C(C)C=C1,DRUG_224
225,225,225,225,225,225,225,225,DB04301,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate,DrugBank,drug,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(O)(O)C1=NC2=C(N1)C=C(C=C2)C([NH3+])=[NH2+],DRUG_225
226,226,226,226,226,226,226,226,DB01744,Camphor,DrugBank,drug,[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C,DRUG_226
227,227,227,227,227,227,227,227,DB04683,"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE",DrugBank,drug,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC,DRUG_227
228,228,228,228,228,228,228,228,DB03667,Acetic Acid Salicyloyl-Amino-Ester,DrugBank,drug,CC(=O)ONC(=O)C1=C(O)C=CC=C1,DRUG_228
229,229,229,229,229,229,229,229,DB01822,"(4R,5R)-1,2-dithiane-4,5-diol",DrugBank,drug,O[C@H]1CSSC[C@@H]1O,DRUG_229
230,230,230,230,230,230,230,230,DB00068,Interferon beta-1b,DrugBank,drug,,DRUG_230
231,231,231,231,231,231,231,231,DB07158,"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE",DrugBank,drug,CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2,DRUG_231
232,232,232,232,232,232,232,232,DB07277,2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE,DrugBank,drug,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,DRUG_232
233,233,233,233,233,233,233,233,DB13999,Moroctocog alfa,DrugBank,drug,,DRUG_233
234,234,234,234,234,234,234,234,DB01784,4-Flourobenzenesulfonamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(F)C=C1,DRUG_234
235,235,235,235,235,235,235,235,DB03435,Uridine-5'-Diphosphate,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_235
236,236,236,236,236,236,236,236,DB06705,Gadofosveset trisodium,DrugBank,drug,[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)C[C@H](COP([O-])(=O)OC1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1)N(CC([O-])=O)CC([O-])=O,DRUG_236
237,237,237,237,237,237,237,237,DB11935,Flomoxef,DrugBank,drug,CO[C@]1(NC(=O)CSC(F)F)[C@H]2OCC(CSC3=NN=NN3CCO)=C(N2C1=O)C(O)=O,DRUG_237
238,238,238,238,238,238,238,238,DB14773,Lifirafenib,DrugBank,drug,FC(F)(F)C1=CC2=C(C=C1)N=C(N2)[C@@H]1[C@H]2OC3=C(C=C(OC4=C5CCC(=O)NC5=NC=C4)C=C3)[C@@H]12,DRUG_238
239,239,239,239,239,239,239,239,DB12580,Tradipitant,DrugBank,drug,FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C2=CC=NC=C2)C2=NC=CC=C2C(=O)C2=CC=CC=C2Cl)=C1)C(F)(F)F,DRUG_239
240,240,240,240,240,240,240,240,DB04606,2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE),DrugBank,drug,CCCOC1=CC2=C(NC=C2C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1,DRUG_240
241,241,241,241,241,241,241,241,DB00019,Pegfilgrastim,DrugBank,drug,,DRUG_241
242,242,242,242,242,242,242,242,DB11525,Maduramicin,DrugBank,drug,N.[H][C@@](C)([C@@]1([H])O[C@@]2(CC[C@](C)(O2)[C@@]2([H])CC[C@](C)(O2)[C@]2([H])O[C@]([H])(C[C@]2([H])O[C@]2([H])C[C@]([H])(OC)[C@@]([H])(OC)[C@]([H])(C)O2)[C@@]2([H])O[C@](C)(O)[C@]([H])(C)C[C@]2([H])C)C[C@]([H])(O)[C@@]1([H])C)[C@]1([H])O[C@](O)(CC(O)=O)[C@@]([H])(C)[C@]([H])(OC)[C@@]1([H])OC,DRUG_242
243,243,243,243,243,243,243,243,DB03279,Dodecyl-Alpha-D-Maltoside,DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O,DRUG_243
244,244,244,244,244,244,244,244,DB05646,VT-111,DrugBank,drug,,DRUG_244
245,245,245,245,245,245,245,245,DB00289,Atomoxetine,DrugBank,drug,CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1,DRUG_245
246,246,246,246,246,246,246,246,DB08186,(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE,DrugBank,drug,CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12,DRUG_246
247,247,247,247,247,247,247,247,DB15763,Iron polymaltose,DrugBank,drug,[OH-].[OH-].[OH-].[Fe+3].OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_247
248,248,248,248,248,248,248,248,DB13950,WIN 55212-2,DrugBank,drug,CC1=C(C(=O)C2=CC=CC3=CC=CC=C23)C2=C3N1[C@H](CN1CCOCC1)COC3=CC=C2,DRUG_248
249,249,249,249,249,249,249,249,DB05855,Rivanicline,DrugBank,drug,CNCC\C=C\C1=CN=CC=C1,DRUG_249
250,250,250,250,250,250,250,250,DB07583,"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE",DrugBank,drug,[H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1,DRUG_250
251,251,251,251,251,251,251,251,DB15528,Onasemnogene abeparvovec,DrugBank,drug,,DRUG_251
252,252,252,252,252,252,252,252,DB14805,Piflufolastat F 18,DrugBank,drug,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(O)=O)C(O)=O,DRUG_252
253,253,253,253,253,253,253,253,DB01384,Paramethasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_253
254,254,254,254,254,254,254,254,DB11918,Guadecitabine,DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N2C=NC(N)=NC2=O)O1,DRUG_254
255,255,255,255,255,255,255,255,DB00895,Benzylpenicilloyl polylysine,DrugBank,drug,[H]N[C@H](CCCCN)C(O)=O.[H]N[C@H](CCCCNC(=O)C(NC(=O)CC1=CC=CC=C1)[C@]1([H])N[C@@H](C(O)=O)C(C)(C)S1)C(O)=O,DRUG_255
256,256,256,256,256,256,256,256,DB13584,Gallamine,DrugBank,drug,CCN(CC)CCOC1=CC=CC(OCCN(CC)CC)=C1OCCN(CC)CC,DRUG_256
257,257,257,257,257,257,257,257,DB04395,Phosphoaminophosphonic Acid-Adenylate Ester,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O,DRUG_257
258,258,258,258,258,258,258,258,DB06439,Tyloxapol,DrugBank,drug,,DRUG_258
259,259,259,259,259,259,259,259,DB09214,Dexketoprofen,DrugBank,drug,[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,DRUG_259
260,260,260,260,260,260,260,260,DB15173,JNJ-42165279,DrugBank,drug,FC1(F)OC2=CC=C(CN3CCN(CC3)C(=O)NC3=C(Cl)C=CN=C3)C=C2O1,DRUG_260
261,261,261,261,261,261,261,261,DB05421,CP-122721,DrugBank,drug,COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1,DRUG_261
262,262,262,262,262,262,262,262,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",DrugBank,drug,[H][C@]1(O)CC(=O)O[C@@]([H])(CC[C@@]2([H])[C@@]([H])(C)C=CC3=CCC[C@]([H])(O)[C@]23[H])C1,DRUG_262
263,263,263,263,263,263,263,263,DB07427,2-[(2-methoxy-5-methylphenoxy)methyl]pyridine,DrugBank,drug,COC1=C(OCC2=NC=CC=C2)C=C(C)C=C1,DRUG_263
264,264,264,264,264,264,264,264,DB07049,(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine,DrugBank,drug,[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O,DRUG_264
265,265,265,265,265,265,265,265,DB06887,"[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",DrugBank,drug,CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C,DRUG_265
266,266,266,266,266,266,266,266,DB13823,Pipemidic acid,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1,DRUG_266
267,267,267,267,267,267,267,267,DB11468,Tiamulin,DrugBank,drug,[H][C@@]12C(=O)CC[C@]11CC[C@@]([H])(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSCCN(CC)CC,DRUG_267
268,268,268,268,268,268,268,268,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",DrugBank,drug,COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=C(C=CC=C4)C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24,DRUG_268
269,269,269,269,269,269,269,269,DB07231,"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE",DrugBank,drug,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O,DRUG_269
270,270,270,270,270,270,270,270,DB13318,Demecolcine,DrugBank,drug,[H][C@@]1(CCC2=CC(OC)=C(OC)C(OC)=C2C2=CC=C(OC)C(=O)C=C12)NC,DRUG_270
271,271,271,271,271,271,271,271,DB10949,Koeleria macrantha pollen,DrugBank,drug,,DRUG_271
272,272,272,272,272,272,272,272,DB00595,Oxytetracycline,DrugBank,drug,[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,DRUG_272
273,273,273,273,273,273,273,273,DB11278,DL-Methylephedrine,DrugBank,drug,C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C,DRUG_273
274,274,274,274,274,274,274,274,DB17129,Pelabresib anhydrous,DrugBank,drug,CC1=NOC2=C1C1=C(C=CC=C1)C(=N[C@H]2CC(N)=O)C1=CC=C(Cl)C=C1,DRUG_274
275,275,275,275,275,275,275,275,DB19201,Tamnorzatinib,DrugBank,drug,COC1=CC2=NC=CC(OC3=CC=C(NC(=O)C4=CC5=C(CCCC5=O)N(C5=CC=CC=C5)C4=O)N=C3)=C2C=C1OC,DRUG_275
276,276,276,276,276,276,276,276,DB08057,"N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine",DrugBank,drug,[H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1,DRUG_276
277,277,277,277,277,277,277,277,DB00687,Fludrocortisone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_277
278,278,278,278,278,278,278,278,DB06267,Udenafil,DrugBank,drug,CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C,DRUG_278
279,279,279,279,279,279,279,279,DB04256,(S)-alpha-methyl-4-carboxyphenylglycine,DrugBank,drug,C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O,DRUG_279
280,280,280,280,280,280,280,280,DB01871,[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CO,DRUG_280
281,281,281,281,281,281,281,281,DB10353,Poa annua pollen,DrugBank,drug,,DRUG_281
282,282,282,282,282,282,282,282,DB03596,N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide,DrugBank,drug,[H][C@@](CC)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)C1=CC2=C(NC=C2)C=C1,DRUG_282
283,283,283,283,283,283,283,283,DB13563,Norgestrienone,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_283
284,284,284,284,284,284,284,284,DB04244,(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide,DrugBank,drug,[H]N(C[C@@H](O)CN([H])S(=O)(=O)C1=CC=CC=N1)C(=O)[C@H](CC(C)C)C1=CC=CC(=C1)C1=CC=CC=C1,DRUG_284
285,285,285,285,285,285,285,285,DB06819,Phenylbutyric acid,DrugBank,drug,OC(=O)CCCC1=CC=CC=C1,DRUG_285
286,286,286,286,286,286,286,286,DB03193,Stearic acid,DrugBank,drug,CCCCCCCCCCCCCCCCCC(O)=O,DRUG_286
287,287,287,287,287,287,287,287,DB07997,N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE,DrugBank,drug,CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2,DRUG_287
288,288,288,288,288,288,288,288,DB08856,DADLE,DrugBank,drug,CC(C)C[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,DRUG_288
289,289,289,289,289,289,289,289,DB11264,Calcium glycerophosphate,DrugBank,drug,[Ca++].OCC(CO)OP([O-])([O-])=O,DRUG_289
290,290,290,290,290,290,290,290,DB12072,Orantinib,DrugBank,drug,CC1=C(CCC(O)=O)C(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12,DRUG_290
291,291,291,291,291,291,291,291,DB00663,Flumethasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_291
292,292,292,292,292,292,292,292,DB08047,"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",DrugBank,drug,OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F,DRUG_292
293,293,293,293,293,293,293,293,DB13508,Cloranolol,DrugBank,drug,CC(C)(C)NCC(O)COC1=CC(Cl)=CC=C1Cl,DRUG_293
294,294,294,294,294,294,294,294,DB01042,Melphalan,DrugBank,drug,N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(O)=O,DRUG_294
295,295,295,295,295,295,295,295,DB05205,CX157,DrugBank,drug,,DRUG_295
296,296,296,296,296,296,296,296,DB12267,Brigatinib,DrugBank,drug,COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1,DRUG_296
297,297,297,297,297,297,297,297,DB14778,Setrusumab,DrugBank,drug,,DRUG_297
298,298,298,298,298,298,298,298,DB10343,Bacillus calmette-guerin substrain tice live antigen,DrugBank,drug,,DRUG_298
299,299,299,299,299,299,299,299,DB05289,Tarenflurbil,DrugBank,drug,C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,DRUG_299
300,300,300,300,300,300,300,300,DB17191,Altiratinib,DrugBank,drug,FC1=CC=C(NC(=O)C2(CC2)C(=O)NC2=C(F)C=C(OC3=CC=NC(NC(=O)C4CC4)=C3)C(F)=C2)C=C1,DRUG_300
301,301,301,301,301,301,301,301,DB07921,2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide,DrugBank,drug,FC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O,DRUG_301
302,302,302,302,302,302,302,302,DB12041,Mapracorat,DrugBank,drug,CC1=CC=C2C(NC[C@](O)(CC(C)(C)C3=CC(F)=CC4=C3OCC4)C(F)(F)F)=CC=CC2=N1,DRUG_302
303,303,303,303,303,303,303,303,DB09209,Pholcodine,DrugBank,drug,[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,DRUG_303
304,304,304,304,304,304,304,304,DB02805,Arabinouridine 3'-phosphate,DrugBank,drug,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]2O)C1=O,DRUG_304
305,305,305,305,305,305,305,305,DB07283,"9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid",DrugBank,drug,OC(=O)C1=C2N(CC3=CC=CC=C3)C3=C(CCCC3)C2=CC=C1,DRUG_305
306,306,306,306,306,306,306,306,DB12565,Abexinostat,DrugBank,drug,CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO,DRUG_306
307,307,307,307,307,307,307,307,DB11090,Potassium nitrate,DrugBank,drug,[K+].[O-][N+]([O-])=O,DRUG_307
308,308,308,308,308,308,308,308,DB01671,p-Hydroxymercuribenzoic acid,DrugBank,drug,O[Hg]C1=CC=C(C=C1)C(O)=O,DRUG_308
309,309,309,309,309,309,309,309,DB09266,Technetium Tc-99m tilmanocept,DrugBank,drug,,DRUG_309
310,310,310,310,310,310,310,310,DB14766,Etrasimod,DrugBank,drug,OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1,DRUG_310
311,311,311,311,311,311,311,311,DB02004,"5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine",DrugBank,drug,COC1=CC(=CC(OC)=C1)C1=NC(=C(CN)C(N)=N1)C1=CC=C(Cl)C=C1Cl,DRUG_311
312,312,312,312,312,312,312,312,DB01299,Sulfadoxine,DrugBank,drug,COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC,DRUG_312
313,313,313,313,313,313,313,313,DB11977,Golvatinib,DrugBank,drug,CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1,DRUG_313
314,314,314,314,314,314,314,314,DB02466,BMS-181156,DrugBank,drug,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O,DRUG_314
315,315,315,315,315,315,315,315,DB00416,Metocurine iodide,DrugBank,drug,[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,DRUG_315
316,316,316,316,316,316,316,316,DB02762,RU79072,DrugBank,drug,OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N,DRUG_316
317,317,317,317,317,317,317,317,DB12961,Leukotriene B4,DrugBank,drug,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,DRUG_317
318,318,318,318,318,318,318,318,DB07916,3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID,DrugBank,drug,[H][C@@](CC(O)=O)(NC(=O)[C@@]([H])(CCCCNC(=O)C1=NC2=C(C=CC=C2O)C=C1)C1=CC=CS1)C=O,DRUG_318
319,319,319,319,319,319,319,319,DB00685,Trovafloxacin,DrugBank,drug,[H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O,DRUG_319
320,320,320,320,320,320,320,320,DB13358,Cibenzoline,DrugBank,drug,C1C(C2=NCCN2)C1(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_320
321,321,321,321,321,321,321,321,DB12873,Dianhydrogalactitol,DrugBank,drug,O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1,DRUG_321
322,322,322,322,322,322,322,322,DB08588,2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE,DrugBank,drug,[H][C@@]1(N)CCCN(C1)C1=NC2=C(C=CC=C2)C(=O)N1CC1=C(C=CC=C1)C#N,DRUG_322
323,323,323,323,323,323,323,323,DB00965,Ethiodized oil,DrugBank,drug,,DRUG_323
324,324,324,324,324,324,324,324,DB02049,2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide,DrugBank,drug,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1,DRUG_324
325,325,325,325,325,325,325,325,DB04518,"3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol",DrugBank,drug,CC1=NC(C)=C(S1)C1=NC(NC2=CC=CC(O)=C2)=NC=C1,DRUG_325
326,326,326,326,326,326,326,326,DB05458,Pozanicline,DrugBank,drug,CC1=C(OC[C@@H]2CCCN2)C=CC=N1,DRUG_326
327,327,327,327,327,327,327,327,DB01694,D-tartaric acid,DrugBank,drug,O[C@@H]([C@H](O)C(O)=O)C(O)=O,DRUG_327
328,328,328,328,328,328,328,328,DB07512,7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE,DrugBank,drug,ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1,DRUG_328
329,329,329,329,329,329,329,329,DB15253,Bleselumab,DrugBank,drug,,DRUG_329
330,330,330,330,330,330,330,330,DB04753,"9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",DrugBank,drug,OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O,DRUG_330
331,331,331,331,331,331,331,331,DB06013,Aldoxorubicin,DrugBank,drug,COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(\CO)=N\NC(=O)CCCCCN4C(=O)C=CC4=O)C(O)=C3C(=O)C2=CC=C1,DRUG_331
332,332,332,332,332,332,332,332,DB15900,Odesivimab,DrugBank,drug,,DRUG_332
333,333,333,333,333,333,333,333,DB03593,7-methyl-5'-guanylic acid,DrugBank,drug,C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,DRUG_333
334,334,334,334,334,334,334,334,DB09154,Sodium citrate,DrugBank,drug,[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_334
335,335,335,335,335,335,335,335,DB17589,Loxoribine,DrugBank,drug,NC1=NC2=C(N(CC=C)C(=O)N2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_335
336,336,336,336,336,336,336,336,DB01710,Porphyrin Fe(III),DrugBank,drug,[Fe+5].[H]C1=C([H])/C2=C([H])/C3=N/C(/C([H])=C3[H])=C([H])\C3=C([H])C([H])=C([N-]3)/C([H])=C3\N=C(C([H])=C3[H])\C(\[H])=C\1/[N-]\2,DRUG_336
337,337,337,337,337,337,337,337,DB02662,Novo Nordisk a/S Compound,DrugBank,drug,OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O,DRUG_337
338,338,338,338,338,338,338,338,DB05336,Obiltoxaximab,DrugBank,drug,,DRUG_338
339,339,339,339,339,339,339,339,DB07592,(2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate,DrugBank,drug,[H][C@@](CCCC)(NC(=O)O[C@]([H])(CC1=CC=CC=C1)C(C)C)C=O,DRUG_339
340,340,340,340,340,340,340,340,DB02977,PNU177836,DrugBank,drug,[H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C,DRUG_340
341,341,341,341,341,341,341,341,DB00960,Pindolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC2=C1C=CN2,DRUG_341
342,342,342,342,342,342,342,342,DB13470,Cefodizime,DrugBank,drug,[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_342
343,343,343,343,343,343,343,343,DB05944,Varlitinib,DrugBank,drug,C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1,DRUG_343
344,344,344,344,344,344,344,344,DB04794,Bifonazole,DrugBank,drug,C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_344
345,345,345,345,345,345,345,345,DB09255,Dextran,DrugBank,drug,,DRUG_345
346,346,346,346,346,346,346,346,DB03380,L-tyrosinamide,DrugBank,drug,[H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O,DRUG_346
347,347,347,347,347,347,347,347,DB14859,Fosifloxuridine nafalbenamide,DrugBank,drug,C[C@H](NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O)OC1=C2C=CC=CC2=CC=C1)C(=O)OCC1=CC=CC=C1,DRUG_347
348,348,348,348,348,348,348,348,DB07791,4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE,DrugBank,drug,CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1,DRUG_348
349,349,349,349,349,349,349,349,DB00047,Insulin glargine,DrugBank,drug,,DRUG_349
350,350,350,350,350,350,350,350,DB00034,Interferon alfa-2a,DrugBank,drug,,DRUG_350
351,351,351,351,351,351,351,351,DB08101,"2,6-dibromo-4-[(E)-2-phenylethenyl]phenol",DrugBank,drug,OC1=C(Br)C=C(\C=C\C2=CC=CC=C2)C=C1Br,DRUG_351
352,352,352,352,352,352,352,352,DB02596,"alpha,beta-Methyleneadenosine 5'-triphosphate",DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_352
353,353,353,353,353,353,353,353,DB07941,PH-797804,DrugBank,drug,CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O,DRUG_353
354,354,354,354,354,354,354,354,DB17758,Quilseconazole,DrugBank,drug,O[C@@](CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C=N1)C1=CC=C(OC(F)(F)F)C=C1,DRUG_354
355,355,355,355,355,355,355,355,DB13354,Phenprobamate,DrugBank,drug,NC(=O)OCCCC1=CC=CC=C1,DRUG_355
356,356,356,356,356,356,356,356,DB13189,Calcitonin porcine,DrugBank,drug,,DRUG_356
357,357,357,357,357,357,357,357,DB16067,Luvadaxistat,DrugBank,drug,OC1=CC(CCC2=CC=C(C=C2)C(F)(F)F)=NNC1=O,DRUG_357
358,358,358,358,358,358,358,358,DB11617,Aclarubicin,DrugBank,drug,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2[C@H]1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O,DRUG_358
359,359,359,359,359,359,359,359,DB01291,Pirbuterol,DrugBank,drug,CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1,DRUG_359
360,360,360,360,360,360,360,360,DB16536,Birch bark extract,DrugBank,drug,,DRUG_360
361,361,361,361,361,361,361,361,DB12591,BMS-911543,DrugBank,drug,CCN1C(=CC2=C3N(C)C=NC3=C(NC3=NN(C)C(C)=C3)N=C12)C(=O)N(C1CC1)C1CC1,DRUG_361
362,362,362,362,362,362,362,362,DB00113,Technetium Tc-99m arcitumomab,DrugBank,drug,,DRUG_362
363,363,363,363,363,363,363,363,DB04837,Clofedanol,DrugBank,drug,CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl,DRUG_363
364,364,364,364,364,364,364,364,DB13328,Butanilicaine,DrugBank,drug,CCCCNCC(=O)NC1=C(C)C=CC=C1Cl,DRUG_364
365,365,365,365,365,365,365,365,DB13959,Medium-chain triglycerides,DrugBank,drug,,DRUG_365
366,366,366,366,366,366,366,366,DB08062,"3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE",DrugBank,drug,CSC1=NN=C(N1)C1=CC=C(Cl)C=C1,DRUG_366
367,367,367,367,367,367,367,367,DB02754,"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine",DrugBank,drug,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12,DRUG_367
368,368,368,368,368,368,368,368,DB10389,Lolium perenne pollen,DrugBank,drug,,DRUG_368
369,369,369,369,369,369,369,369,DB11859,Brexanolone,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,DRUG_369
370,370,370,370,370,370,370,370,DB12710,Perazine,DrugBank,drug,CN1CCN(CCCN2C3=CC=CC=C3SC3=CC=CC=C23)CC1,DRUG_370
371,371,371,371,371,371,371,371,DB13608,Tiocarlide,DrugBank,drug,CC(C)CCOC1=CC=C(NC(=S)NC2=CC=C(OCCC(C)C)C=C2)C=C1,DRUG_371
372,372,372,372,372,372,372,372,DB16324,Selgantolimod,DrugBank,drug,CCCC[C@@](C)(CO)NC1=NC(N)=NC2=C1N=CC(F)=C2,DRUG_372
373,373,373,373,373,373,373,373,DB06251,Dersalazine,DrugBank,drug,CC1=NC2=CN=CC=C2N1CC1CCN(CC1)C(=O)\C=C(\C1=CC=CC=C1)C1=CC=C(C=C1)\N=N\C1=CC(C(O)=O)=C(O)C=C1,DRUG_373
374,374,374,374,374,374,374,374,DB19054,Deudextromethorphan,DrugBank,drug,[H][C@]12CCCC[C@]11CCN([C@H]2CC2=CC=C(OC([2H])([2H])[2H])C=C12)C([2H])([2H])[2H],DRUG_374
375,375,375,375,375,375,375,375,DB11771,Tremelimumab,DrugBank,drug,,DRUG_375
376,376,376,376,376,376,376,376,DB06620,Aplindore,DrugBank,drug,O=C1CC2=C3O[C@@H](CNCC4=CC=CC=C4)COC3=CC=C2N1,DRUG_376
377,377,377,377,377,377,377,377,DB13255,Propatyl nitrate,DrugBank,drug,CCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,DRUG_377
378,378,378,378,378,378,378,378,DB13375,Edrecolomab,DrugBank,drug,,DRUG_378
379,379,379,379,379,379,379,379,DB11470,Tildipirosin,DrugBank,drug,[H][C@@]1(O[C@H]2[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CN3CCCCC3)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C,DRUG_379
380,380,380,380,380,380,380,380,DB13795,Brodimoprim,DrugBank,drug,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br,DRUG_380
381,381,381,381,381,381,381,381,DB03010,Patupilone,DrugBank,drug,[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1,DRUG_381
382,382,382,382,382,382,382,382,DB14209,Trandolaprilat,DrugBank,drug,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1[C@@]([H])(C[C@@]2([H])CCCC[C@]12[H])C(O)=O,DRUG_382
383,383,383,383,383,383,383,383,DB00484,Brimonidine,DrugBank,drug,BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12,DRUG_383
384,384,384,384,384,384,384,384,DB12885,Namodenoson,DrugBank,drug,CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC=CC(I)=C3)N=C(Cl)N=C12,DRUG_384
385,385,385,385,385,385,385,385,DB05095,Cimicoxib,DrugBank,drug,COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O,DRUG_385
386,386,386,386,386,386,386,386,DB01309,Insulin glulisine,DrugBank,drug,,DRUG_386
387,387,387,387,387,387,387,387,DB14917,Ceralasertib,DrugBank,drug,C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2,DRUG_387
388,388,388,388,388,388,388,388,DB08271,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO,DRUG_388
389,389,389,389,389,389,389,389,DB12169,Tralokinumab,DrugBank,drug,,DRUG_389
390,390,390,390,390,390,390,390,DB03996,"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol",DrugBank,drug,[H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1,DRUG_390
391,391,391,391,391,391,391,391,DB08930,Dolutegravir,DrugBank,drug,[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2,DRUG_391
392,392,392,392,392,392,392,392,DB15768,MEDI0680,DrugBank,drug,,DRUG_392
393,393,393,393,393,393,393,393,DB11701,Amenamevir,DrugBank,drug,CC1=CC=CC(C)=C1N(CC(=O)NC1=CC=C(C=C1)C1=NOC=N1)C(=O)C1CCS(=O)(=O)CC1,DRUG_393
394,394,394,394,394,394,394,394,DB06560,Pascolizumab,DrugBank,drug,,DRUG_394
395,395,395,395,395,395,395,395,DB02209,Pyridoxine phosphate,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(CO)=C1O,DRUG_395
396,396,396,396,396,396,396,396,DB15189,Birabresib,DrugBank,drug,CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(O)C=C1)N=C2C1=CC=C(Cl)C=C1,DRUG_396
397,397,397,397,397,397,397,397,DB10379,Dactylis glomerata pollen,DrugBank,drug,,DRUG_397
398,398,398,398,398,398,398,398,DB08203,"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE",DrugBank,drug,COCC(COC)N1C=CC2=C1C=CC1=NC(N)=NC(N)=C21,DRUG_398
399,399,399,399,399,399,399,399,DB03243,4-Fluorobenzylamine,DrugBank,drug,[NH3+]CC1=CC=C(F)C=C1,DRUG_399
400,400,400,400,400,400,400,400,DB11938,Difelikefalin,DrugBank,drug,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O,DRUG_400
401,401,401,401,401,401,401,401,DB00970,Dactinomycin,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C,DRUG_401
402,402,402,402,402,402,402,402,DB00132,alpha-Linolenic acid,DrugBank,drug,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,DRUG_402
403,403,403,403,403,403,403,403,DB11838,Revamilast,DrugBank,drug,[O-][N+]1=CC(Cl)=C(NC(=O)C2=CC=C(OC(F)F)C3=C2C2=CN=CC=C2O3)C(Cl)=C1,DRUG_403
404,404,404,404,404,404,404,404,DB11932,Abametapir,DrugBank,drug,CC1=CC=C(N=C1)C1=CC=C(C)C=N1,DRUG_404
405,405,405,405,405,405,405,405,DB13434,Fenticonazole,DrugBank,drug,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CC=C(SC2=CC=CC=C2)C=C1,DRUG_405
406,406,406,406,406,406,406,406,DB12854,BMS-908662,DrugBank,drug,COC(=O)NC1=NC2=CC(=CC=C2N1)C1(O)N(C(=O)C2=CC=CC=C12)C1=CC(Cl)=CC=C1C,DRUG_406
407,407,407,407,407,407,407,407,DB06723,Aluminum hydroxide,DrugBank,drug,[OH-].[OH-].[OH-].[Al+3],DRUG_407
408,408,408,408,408,408,408,408,DB12340,Navitoclax,DrugBank,drug,[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F,DRUG_408
409,409,409,409,409,409,409,409,DB01014,Balsalazide,DrugBank,drug,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O,DRUG_409
410,410,410,410,410,410,410,410,DB14001,alpha-Tocopherol succinate,DrugBank,drug,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1,DRUG_410
411,411,411,411,411,411,411,411,DB14009,Medical Cannabis,DrugBank,drug,,DRUG_411
412,412,412,412,412,412,412,412,DB07984,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide,DrugBank,drug,CC[C@@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=C1C=C(OC)C=C2,DRUG_412
413,413,413,413,413,413,413,413,DB04859,Zanapezil,DrugBank,drug,O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1,DRUG_413
414,414,414,414,414,414,414,414,DB12025,Triptolide,DrugBank,drug,CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O,DRUG_414
415,415,415,415,415,415,415,415,DB08611,"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL",DrugBank,drug,OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1,DRUG_415
416,416,416,416,416,416,416,416,DB08332,9-(2-carboxyethyl)-10-methylanthracene endoperoxide,DrugBank,drug,C[C@@]12OO[C@@](CCC(O)=O)(C3=C1C=CC=C3)C1=C2C=CC=C1,DRUG_416
417,417,417,417,417,417,417,417,DB05382,Iodine,DrugBank,drug,II,DRUG_417
418,418,418,418,418,418,418,418,DB14901,Inclisiran,DrugBank,drug,,DRUG_418
419,419,419,419,419,419,419,419,DB18719,Tulisokibart,DrugBank,drug,,DRUG_419
420,420,420,420,420,420,420,420,DB00733,Pralidoxime,DrugBank,drug,C[N+]1=C(\C=N\O)C=CC=C1,DRUG_420
421,421,421,421,421,421,421,421,DB01692,Dithioerythritol,DrugBank,drug,[H][C@](O)(CS)[C@]([H])(O)CS,DRUG_421
422,422,422,422,422,422,422,422,DB03712,RU85053,DrugBank,drug,CC(=O)N[C@@H](CC1=CC(C(O)=O)=C(CC(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_422
423,423,423,423,423,423,423,423,DB14010,"5-methoxy-N,N-dimethyltryptamine",DrugBank,drug,COC1=CC=C2NC=C(CCN(C)C)C2=C1,DRUG_423
424,424,424,424,424,424,424,424,DB18704,Efbemalenograstim alfa,DrugBank,drug,,DRUG_424
425,425,425,425,425,425,425,425,DB04133,Degraded Cephaloridine,DrugBank,drug,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(C)CS1,DRUG_425
426,426,426,426,426,426,426,426,DB02360,Bis-Napthyl Beta-Ketophosphonic Acid,DrugBank,drug,[H][C@](C(=O)C1=CC2=CC=CC=C2C=C1)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,DRUG_426
427,427,427,427,427,427,427,427,DB03702,"N-{4-[(Carboxymethyl)carbamoyl]benzoyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide",DrugBank,drug,[H]N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C(C)C)C(=O)C(F)(F)F,DRUG_427
428,428,428,428,428,428,428,428,DB03033,4-methoxybenzenesulfinate,DrugBank,drug,COC1=CC=C(C=C1)S([O-])=O,DRUG_428
429,429,429,429,429,429,429,429,DB12688,Moxetumomab pasudotox,DrugBank,drug,,DRUG_429
430,430,430,430,430,430,430,430,DB05848,humanized SMART Anti-IL-12 Antibody,DrugBank,drug,,DRUG_430
431,431,431,431,431,431,431,431,DB19123,Enzalutamide d3,DrugBank,drug,[2H]C([2H])([2H])NC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F,DRUG_431
432,432,432,432,432,432,432,432,DB14896,Selitrectinib,DrugBank,drug,C[C@@H]1CCC2=C(C=C(F)C=N2)[C@H]2CCCN2C2=NC3=C(C=NN3C=C2)C(=O)N1,DRUG_432
433,433,433,433,433,433,433,433,DB06961,"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide",DrugBank,drug,CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1,DRUG_433
434,434,434,434,434,434,434,434,DB01122,Ambenonium,DrugBank,drug,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl,DRUG_434
435,435,435,435,435,435,435,435,DB02767,(R)-3-hydroxytetradecanoic acid,DrugBank,drug,CCCCCCCCCCC[C@@H](O)CC(O)=O,DRUG_435
436,436,436,436,436,436,436,436,DB00300,Tenofovir disoproxil,DrugBank,drug,[H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,DRUG_436
437,437,437,437,437,437,437,437,DB06119,Cenobamate,DrugBank,drug,NC(=O)O[C@@H](CN1N=CN=N1)C1=C(Cl)C=CC=C1,DRUG_437
438,438,438,438,438,438,438,438,DB00123,Lysine,DrugBank,drug,NCCCC[C@H](N)C(O)=O,DRUG_438
439,439,439,439,439,439,439,439,DB13443,Esatenolol,DrugBank,drug,CC(C)NC[C@H](O)COC1=CC=C(CC(N)=O)C=C1,DRUG_439
440,440,440,440,440,440,440,440,DB07253,"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine",DrugBank,drug,CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,DRUG_440
441,441,441,441,441,441,441,441,DB00208,Ticlopidine,DrugBank,drug,ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2,DRUG_441
442,442,442,442,442,442,442,442,DB02850,DAS869,DrugBank,drug,COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(=O)=O)C(=O)C1=C(O)N(N=C1)C(C)(C)C,DRUG_442
443,443,443,443,443,443,443,443,DB00920,Ketotifen,DrugBank,drug,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12,DRUG_443
444,444,444,444,444,444,444,444,DB03945,"N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium",DrugBank,drug,C[N+](C)(C)CCOP(O)(O)=O,DRUG_444
445,445,445,445,445,445,445,445,DB16310,Rezafungin,DrugBank,drug,[H][C@](C)(O)[C@]1([H])\N=C(O)/[C@]([H])(C[C@@]([H])(O)[C@@]([H])(OCC[N+](C)(C)C)\N=C(O)/[C@@]2([H])N(C[C@]([H])(C)[C@]2([H])O)C(=O)[C@@]([H])(\N=C(O)/[C@@]([H])(\N=C(O)/[C@]2([H])C[C@@]([H])(O)CN2C1=O)[C@]([H])(O)[C@@]([H])(O)C1=CC=C(O)C=C1)[C@@]([H])(C)O)\N=C(/O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1,DRUG_445
446,446,446,446,446,446,446,446,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",DrugBank,drug,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[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,DRUG_446
447,447,447,447,447,447,447,447,DB03611,L-2-amino-4-methoxy-cis-but-3-enoic acid,DrugBank,drug,[H]\C(OC)=C(/[H])[C@]([H])(N)C(O)=O,DRUG_447
448,448,448,448,448,448,448,448,DB01756,4-phospho-L-threonic acid,DrugBank,drug,O[C@@H](COP(O)(O)=O)[C@@H](O)C(O)=O,DRUG_448
449,449,449,449,449,449,449,449,DB11399,Dirlotapide,DrugBank,drug,CN(CC1=CC=CC=C1)C(=O)[C@@H](NC(=O)C1=CC2=C(C=CC(NC(=O)C3=CC=CC=C3C3=CC=C(C=C3)C(F)(F)F)=C2)N1C)C1=CC=CC=C1,DRUG_449
450,450,450,450,450,450,450,450,DB01823,Beta-D-Glucopyranose Spirohydantoin,DrugBank,drug,OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_450
451,451,451,451,451,451,451,451,DB08150,"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium",DrugBank,drug,[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,DRUG_451
452,452,452,452,452,452,452,452,DB05660,D-JNKI-1,DrugBank,drug,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(O)=O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(O)=O,DRUG_452
453,453,453,453,453,453,453,453,DB09174,Lofentanil,DrugBank,drug,CCC(=O)N(C1=CC=CC=C1)[C@]1(CCN(CCC2=CC=CC=C2)C[C@H]1C)C(=O)OC,DRUG_453
454,454,454,454,454,454,454,454,DB02812,RWJ-56423,DrugBank,drug,[H]N([H])C(=NCCC[C@H](N([H])C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],DRUG_454
455,455,455,455,455,455,455,455,DB02047,(+)-2-(4-biphenyl)propionic acid,DrugBank,drug,C[C@H](C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_455
456,456,456,456,456,456,456,456,DB13664,Formocortal,DrugBank,drug,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CC(C=O)=C4C=C(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C)OCCCl,DRUG_456
457,457,457,457,457,457,457,457,DB01390,Sodium bicarbonate,DrugBank,drug,[Na+].OC([O-])=O,DRUG_457
458,458,458,458,458,458,458,458,DB00453,Clomocycline,DrugBank,drug,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(C(Cl)=CC=C1O)[C@@]3(C)O,DRUG_458
459,459,459,459,459,459,459,459,DB05125,SC12267,DrugBank,drug,,DRUG_459
460,460,460,460,460,460,460,460,DB13793,Vinburnine,DrugBank,drug,[H][C@]12N3CCC[C@@]1(CC)CC(=O)N1C4=CC=CC=C4C(CC3)=C21,DRUG_460
461,461,461,461,461,461,461,461,DB13053,CP-195543,DrugBank,drug,O[C@@H]1[C@@H](CC2=CC=CC=C2)COC2=CC(=CC=C12)C1=CC(=CC=C1C(O)=O)C(F)(F)F,DRUG_461
462,462,462,462,462,462,462,462,DB17856,Soraprazan,DrugBank,drug,COCCO[C@H]1[C@H](O)[C@H](NC2=C1C=CN1C(C)=C(C)N=C21)C1=CC=CC=C1,DRUG_462
463,463,463,463,463,463,463,463,DB14125,Benazeprilat,DrugBank,drug,[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(O)=O,DRUG_463
464,464,464,464,464,464,464,464,DB15903,Chlormadinone acetate,DrugBank,drug,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)CC[C@]12C,DRUG_464
465,465,465,465,465,465,465,465,DB02072,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid",DrugBank,drug,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1,DRUG_465
466,466,466,466,466,466,466,466,DB01017,Minocycline,DrugBank,drug,[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,DRUG_466
467,467,467,467,467,467,467,467,DB04018,S-Isopropyl-Isothiourea,DrugBank,drug,CC(C)SC(N)=N,DRUG_467
468,468,468,468,468,468,468,468,DB04366,3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])N,DRUG_468
469,469,469,469,469,469,469,469,DB12134,Gepotidacin,DrugBank,drug,O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2,DRUG_469
470,470,470,470,470,470,470,470,DB02604,2-Deoxy-Glucose-6-Phosphate,DrugBank,drug,O[C@H]1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1,DRUG_470
471,471,471,471,471,471,471,471,DB12931,Fenobam,DrugBank,drug,CN1CC(=O)N=C1NC(=O)NC1=CC=CC(Cl)=C1,DRUG_471
472,472,472,472,472,472,472,472,DB04952,Ramoplanin,DrugBank,drug,,DRUG_472
473,473,473,473,473,473,473,473,DB01979,Methyl alpha-D-mannoside,DrugBank,drug,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_473
474,474,474,474,474,474,474,474,DB06219,Dalbavancin,DrugBank,drug,,DRUG_474
475,475,475,475,475,475,475,475,DB06979,"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid",DrugBank,drug,CCCCCCCCCCCCSC1=C(N=NN1)C(O)=O,DRUG_475
476,476,476,476,476,476,476,476,DB13402,Acetylglycinamide chloral hydrate,DrugBank,drug,OC(O)C(Cl)(Cl)Cl.CC(=O)NCC(O)=O,DRUG_476
477,477,477,477,477,477,477,477,DB01452,Diamorphine,DrugBank,drug,[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5,DRUG_477
478,478,478,478,478,478,478,478,DB07443,(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide,DrugBank,drug,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,DRUG_478
479,479,479,479,479,479,479,479,DB16101,Baicalein,DrugBank,drug,OC1=CC2=C(C(O)=C1O)C(=O)C=C(O2)C1=CC=CC=C1,DRUG_479
480,480,480,480,480,480,480,480,DB04016,2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid,DrugBank,drug,CN(C1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)C1=CC2=CC=CC=C2C=C1C(=O)[C@@H](C1=CC=CC2=CC=CC=C12)P(O)(O)=O,DRUG_480
481,481,481,481,481,481,481,481,DB11919,6-O-benzylguanine,DrugBank,drug,NC1=NC(OCC2=CC=CC=C2)=C2N=CNC2=N1,DRUG_481
482,482,482,482,482,482,482,482,DB05144,PEV3A,DrugBank,drug,,DRUG_482
483,483,483,483,483,483,483,483,DB02292,Irosustat,DrugBank,drug,NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1,DRUG_483
484,484,484,484,484,484,484,484,DB02676,"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol",DrugBank,drug,OCC(CO)(CO)NCCCNC(CO)(CO)CO,DRUG_484
485,485,485,485,485,485,485,485,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",DrugBank,drug,CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O,DRUG_485
486,486,486,486,486,486,486,486,DB01070,Dihydrotachysterol,DrugBank,drug,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C,DRUG_486
487,487,487,487,487,487,487,487,DB00963,Bromfenac,DrugBank,drug,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1,DRUG_487
488,488,488,488,488,488,488,488,DB07827,"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID",DrugBank,drug,CN1C(=O)N(CC2=CC=C(C=C2)C(O)=O)C(=O)C2=C1C=CC(=C2)C#CCC1=CC=CC=C1,DRUG_488
489,489,489,489,489,489,489,489,DB04351,Aconitate Ion,DrugBank,drug,[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O,DRUG_489
490,490,490,490,490,490,490,490,DB03729,2-Amino-1H-benzimidazol-5-ol,DrugBank,drug,NC1=NC2=C(N1)C=C(O)C=C2,DRUG_490
491,491,491,491,491,491,491,491,DB04278,2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide,DrugBank,drug,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])CCCS)N([H])[H],DRUG_491
492,492,492,492,492,492,492,492,DB02324,5-Iodo-2'-Deoxyuridine-5'-Monophosphate,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(I)C(=O)NC1=O,DRUG_492
493,493,493,493,493,493,493,493,DB19325,Sofpironium,DrugBank,drug,CCOC(=O)C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C1CCCC1)C1=CC=CC=C1,DRUG_493
494,494,494,494,494,494,494,494,DB09080,Olodaterol,DrugBank,drug,COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1,DRUG_494
495,495,495,495,495,495,495,495,DB06124,L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal,DrugBank,drug,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,DRUG_495
496,496,496,496,496,496,496,496,DB14770,Lanraplenib,DrugBank,drug,NC1=CN=CC(=N1)C1=CN2C=CN=C2C(NC2=CC=C(C=C2)N2CCN(CC2)C2COC2)=N1,DRUG_496
497,497,497,497,497,497,497,497,DB02647,N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide,DrugBank,drug,O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1,DRUG_497
498,498,498,498,498,498,498,498,DB05352,Fx-1006A,DrugBank,drug,,DRUG_498
499,499,499,499,499,499,499,499,DB01631,Methyl nonanoate,DrugBank,drug,CCCCCCCCC(=O)OC,DRUG_499
500,500,500,500,500,500,500,500,DB00075,Muromonab,DrugBank,drug,,DRUG_500
501,501,501,501,501,501,501,501,DB07844,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,DrugBank,drug,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C1=O)C(=O)N1CCOCC1,DRUG_501
502,502,502,502,502,502,502,502,DB00379,Mexiletine,DrugBank,drug,CC(N)COC1=C(C)C=CC=C1C,DRUG_502
503,503,503,503,503,503,503,503,DB12923,Gallopamil,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(CCCN(C)CCC1=CC(OC)=C(OC)C=C1)(C#N)C(C)C,DRUG_503
504,504,504,504,504,504,504,504,DB01346,Quinidine barbiturate,DrugBank,drug,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C,DRUG_504
505,505,505,505,505,505,505,505,DB13807,Tisopurine,DrugBank,drug,S=C1N=CNC2=C1C=NN2,DRUG_505
506,506,506,506,506,506,506,506,DB06838,methyl L-phenylalaninate,DrugBank,drug,COC(=O)[C@@H](N)CC1=CC=CC=C1,DRUG_506
507,507,507,507,507,507,507,507,DB08532,"6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",DrugBank,drug,FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1,DRUG_507
508,508,508,508,508,508,508,508,DB05413,Tifuvirtide,DrugBank,drug,,DRUG_508
509,509,509,509,509,509,509,509,DB11650,HT-0712,DrugBank,drug,COC1=CC=C(C=C1OC1CCCC1)[C@H]1CNC(=O)[C@H](CC2=CC(C)=CC=C2)C1,DRUG_509
510,510,510,510,510,510,510,510,DB01471,Bolasterone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](C)CC2=CC(=O)CC[C@]12C,DRUG_510
511,511,511,511,511,511,511,511,DB03459,Sparfosic acid,DrugBank,drug,[H]N([C@@H](CC(O)=O)C(O)=O)C(=O)CP(O)(O)=O,DRUG_511
512,512,512,512,512,512,512,512,DB13573,Acefylline,DrugBank,drug,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O,DRUG_512
513,513,513,513,513,513,513,513,DB04831,Tienilic acid,DrugBank,drug,OC(=O)COC1=C(Cl)C(Cl)=C(C=C1)C(=O)C1=CC=CS1,DRUG_513
514,514,514,514,514,514,514,514,DB11998,Sorivudine,DrugBank,drug,OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O,DRUG_514
515,515,515,515,515,515,515,515,DB04295,N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine,DrugBank,drug,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N([H])C(=O)C1=CC=CC=C1,DRUG_515
516,516,516,516,516,516,516,516,DB08443,"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol",DrugBank,drug,OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1,DRUG_516
517,517,517,517,517,517,517,517,DB06318,AVE9633,DrugBank,drug,,DRUG_517
518,518,518,518,518,518,518,518,DB00724,Imiquimod,DrugBank,drug,CC(C)CN1C=NC2=C1C1=C(C=CC=C1)N=C2N,DRUG_518
519,519,519,519,519,519,519,519,DB13853,Anethole trithione,DrugBank,drug,COC1=CC=C(C=C1)C1=CC(=S)SS1,DRUG_519
520,520,520,520,520,520,520,520,DB07011,"(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE",DrugBank,drug,[H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1,DRUG_520
521,521,521,521,521,521,521,521,DB06403,Ambrisentan,DrugBank,drug,COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_521
522,522,522,522,522,522,522,522,DB13200,Lipegfilgrastim,DrugBank,drug,,DRUG_522
523,523,523,523,523,523,523,523,DB07874,"(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",DrugBank,drug,COC1=CC(=CC=C1)C1=CC(=CC=C1)[C@]1(C)CC(=O)N(C)C(N)=N1,DRUG_523
524,524,524,524,524,524,524,524,DB07149,"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",DrugBank,drug,[H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1,DRUG_524
525,525,525,525,525,525,525,525,DB00392,Profenamine,DrugBank,drug,CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_525
526,526,526,526,526,526,526,526,DB02670,4-Deoxy-Alpha-D-Glucose,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O,DRUG_526
527,527,527,527,527,527,527,527,DB04728,Lividomycin A,DrugBank,drug,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)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[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_527
528,528,528,528,528,528,528,528,DB06986,"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DrugBank,drug,[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,DRUG_528
529,529,529,529,529,529,529,529,DB00721,Procaine,DrugBank,drug,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1,DRUG_529
530,530,530,530,530,530,530,530,DB04847,Roxadustat,DrugBank,drug,CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2,DRUG_530
531,531,531,531,531,531,531,531,DB01039,Fenofibrate,DrugBank,drug,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1,DRUG_531
532,532,532,532,532,532,532,532,DB01603,Meticillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O,DRUG_532
533,533,533,533,533,533,533,533,DB06548,Minodronic acid,DrugBank,drug,OC(CC1=CN=C2C=CC=CN12)(P(O)(O)=O)P(O)(O)=O,DRUG_533
534,534,534,534,534,534,534,534,DB06406,Idraparinux,DrugBank,drug,[H][C@]1(O[C@H]2[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]3[C@@H](COS(O)(=O)=O)O[C@]([H])(O[C@H]4[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]5[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@H]4C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3OS(O)(=O)=O)O[C@@H]2C(O)=O)O[C@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]1OC,DRUG_534
535,535,535,535,535,535,535,535,DB05797,TNX-901,DrugBank,drug,,DRUG_535
536,536,536,536,536,536,536,536,DB03917,N-Ethylretinamide,DrugBank,drug,CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,DRUG_536
537,537,537,537,537,537,537,537,DB13489,Bamipine,DrugBank,drug,CN1CCC(CC1)N(CC1=CC=CC=C1)C1=CC=CC=C1,DRUG_537
538,538,538,538,538,538,538,538,DB00743,Gadobenic acid,DrugBank,drug,[Gd+3].OC(=O)CN(CCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)C(COCC1=CC=CC=C1)C(O)=O,DRUG_538
539,539,539,539,539,539,539,539,DB13946,Testosterone undecanoate,DrugBank,drug,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,DRUG_539
540,540,540,540,540,540,540,540,DB12377,Relebactam,DrugBank,drug,OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC2CCNCC2)C1=O,DRUG_540
541,541,541,541,541,541,541,541,DB05550,Iratumumab,DrugBank,drug,,DRUG_541
542,542,542,542,542,542,542,542,DB09308,Solithromycin,DrugBank,drug,[H][C@]12N(CCCCN3C=C(N=N3)C3=CC(N)=CC=C3)C(=O)O[C@]1(C)[C@@]([H])(CC)OC(=O)[C@@](C)(F)C(=O)[C@]([H])(C)[C@@]([H])(O[C@]1([H])O[C@]([H])(C)C[C@]([H])(N(C)C)[C@@]1([H])O)[C@@](C)(C[C@@]([H])(C)C(=O)[C@]2([H])C)OC,DRUG_542
543,543,543,543,543,543,543,543,DB00195,Betaxolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1,DRUG_543
544,544,544,544,544,544,544,544,DB01126,Dutasteride,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F,DRUG_544
545,545,545,545,545,545,545,545,DB16874,CB-5083,DrugBank,drug,CC1=CC2=C(C=CC=C2N1C1=NC(NCC2=CC=CC=C2)=C2COCCC2=N1)C(N)=O,DRUG_545
546,546,546,546,546,546,546,546,DB00546,Adinazolam,DrugBank,drug,CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,DRUG_546
547,547,547,547,547,547,547,547,DB06761,Beractant,DrugBank,drug,,DRUG_547
548,548,548,548,548,548,548,548,DB05507,VX-765,DrugBank,drug,,DRUG_548
549,549,549,549,549,549,549,549,DB06134,SNS-314,DrugBank,drug,ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1,DRUG_549
550,550,550,550,550,550,550,550,DB06040,Filanesib,DrugBank,drug,CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F,DRUG_550
551,551,551,551,551,551,551,551,DB08846,Ellagic acid,DrugBank,drug,OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2,DRUG_551
552,552,552,552,552,552,552,552,DB05695,NPS-2143,DrugBank,drug,CC(C)(CC1=CC=C2C=CC=CC2=C1)NC[C@@H](O)COC1=CC=CC(Cl)=C1C#N,DRUG_552
553,553,553,553,553,553,553,553,DB03984,Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide,DrugBank,drug,[H][C@@](CSCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)N1CCOCC1)C=O,DRUG_553
554,554,554,554,554,554,554,554,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",DrugBank,drug,[H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,DRUG_554
555,555,555,555,555,555,555,555,DB13587,Mesterolone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C[C@H](C)[C@]12C,DRUG_555
556,556,556,556,556,556,556,556,DB01248,Docetaxel,DrugBank,drug,[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,DRUG_556
557,557,557,557,557,557,557,557,DB04841,Flunarizine,DrugBank,drug,FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,DRUG_557
558,558,558,558,558,558,558,558,DB11746,Onartuzumab,DrugBank,drug,,DRUG_558
559,559,559,559,559,559,559,559,DB12473,Taurolidine,DrugBank,drug,O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,DRUG_559
560,560,560,560,560,560,560,560,DB14528,Chromium gluconate,DrugBank,drug,[Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,DRUG_560
561,561,561,561,561,561,561,561,DB03046,7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide,DrugBank,drug,COC1=CC=C2C=CC(=CC2=C1C1=CN(N=C1)S(C)(=O)=O)C(N)=N,DRUG_561
562,562,562,562,562,562,562,562,DB01097,Leflunomide,DrugBank,drug,CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F,DRUG_562
563,563,563,563,563,563,563,563,DB19033,Befiradol,DrugBank,drug,CC1=CC=C(CNCC2(F)CCN(CC2)C(=O)C2=CC=C(F)C(Cl)=C2)N=C1,DRUG_563
564,564,564,564,564,564,564,564,DB13023,IPI-493,DrugBank,drug,CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,DRUG_564
565,565,565,565,565,565,565,565,DB06415,Calfactant,DrugBank,drug,,DRUG_565
566,566,566,566,566,566,566,566,DB12119,Gevokizumab,DrugBank,drug,,DRUG_566
567,567,567,567,567,567,567,567,DB14499,Potassium sulfate,DrugBank,drug,[K+].[K+].[O-]S([O-])(=O)=O,DRUG_567
568,568,568,568,568,568,568,568,DB02803,"3-Phenyl-1,2-Propandiol",DrugBank,drug,OC[C@@H](O)CC1=CC=CC=C1,DRUG_568
569,569,569,569,569,569,569,569,DB18954,TAK-071,DrugBank,drug,CC1=C(CC2=CC=C(C=C2)N2C=CC=N2)C=C2C(=O)N(CC2=C1F)[C@H]1COCC[C@@H]1O,DRUG_569
570,570,570,570,570,570,570,570,DB01178,Chlormezanone,DrugBank,drug,CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O,DRUG_570
571,571,571,571,571,571,571,571,DB07737,(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide,DrugBank,drug,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCCS,DRUG_571
572,572,572,572,572,572,572,572,DB04271,"3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DrugBank,drug,CCOC(=O)C1=C(C)NN=C1C,DRUG_572
573,573,573,573,573,573,573,573,DB14051,Malacidin A,DrugBank,drug,,DRUG_573
574,574,574,574,574,574,574,574,DB12135,Elubrixin,DrugBank,drug,OC1=C(C(Cl)=CC=C1NC(=O)NC1=C(Cl)C(F)=CC=C1)S(=O)(=O)N1CCNCC1,DRUG_574
575,575,575,575,575,575,575,575,DB04477,"2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine",DrugBank,drug,[H]N([C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N=CN=C12)N([H])[C@@H]1CCCC2=CC=CC=C12)C(=O)C1=CC(OC)=CC(OC)=C1,DRUG_575
576,576,576,576,576,576,576,576,DB07485,Bisphenol Z,DrugBank,drug,OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1,DRUG_576
577,577,577,577,577,577,577,577,DB12440,Verdiperstat,DrugBank,drug,CC(C)OCCN1C2=C(NC=C2)C(=O)NC1=S,DRUG_577
578,578,578,578,578,578,578,578,DB07319,"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE",DrugBank,drug,NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br,DRUG_578
579,579,579,579,579,579,579,579,DB01162,Terazosin,DrugBank,drug,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1,DRUG_579
580,580,580,580,580,580,580,580,DB06345,AR-9281,DrugBank,drug,CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2,DRUG_580
581,581,581,581,581,581,581,581,DB07706,2-Hydroxyestradiol,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,DRUG_581
582,582,582,582,582,582,582,582,DB06138,IRL-1620,DrugBank,drug,,DRUG_582
583,583,583,583,583,583,583,583,DB07326,"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide",DrugBank,drug,FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1,DRUG_583
584,584,584,584,584,584,584,584,DB10715,Bouteloua gracilis pollen,DrugBank,drug,,DRUG_584
585,585,585,585,585,585,585,585,DB01962,Phosphonotyrosine,DrugBank,drug,N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,DRUG_585
586,586,586,586,586,586,586,586,DB11396,Dichlorophen,DrugBank,drug,OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O,DRUG_586
587,587,587,587,587,587,587,587,DB06121,DPI-221,DrugBank,drug,[H][C@](N1C[C@@]([H])(C)N(CC2=CC(F)=CC=C2)C[C@]1([H])C)(C1=CC=CC=C1)C1=CC=C(C=C1)C(=O)N(CC)CC,DRUG_587
588,588,588,588,588,588,588,588,DB13048,PAC-1,DrugBank,drug,OC1=C(\C=N\NC(=O)CN2CCN(CC3=CC=CC=C3)CC2)C=CC=C1CC=C,DRUG_588
589,589,589,589,589,589,589,589,DB13805,Reposal,DrugBank,drug,CCC1(C(=O)NC(=O)NC1=O)C1=CC2CCC(C2)C1,DRUG_589
590,590,590,590,590,590,590,590,DB12776,E-6005,DrugBank,drug,CNC1=NC(C2=CC=CC(NC(=O)C3=CC=C(C=C3)C(=O)OC)=C2)=C2C=C(OC)C(OC)=CC2=N1,DRUG_590
591,591,591,591,591,591,591,591,DB06282,Levocetirizine,DrugBank,drug,OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_591
592,592,592,592,592,592,592,592,DB13737,Cyclobarbital,DrugBank,drug,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCC1,DRUG_592
593,593,593,593,593,593,593,593,DB03732,Etheno-Nadp,DrugBank,drug,[H][C@@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C3N=CN3C=CN=C43)[C@]([H])(OP(O)(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,DRUG_593
594,594,594,594,594,594,594,594,DB01272,Alglucosidase alfa,DrugBank,drug,,DRUG_594
595,595,595,595,595,595,595,595,DB11817,Baricitinib,DrugBank,drug,CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,DRUG_595
596,596,596,596,596,596,596,596,DB06468,Cariporide,DrugBank,drug,CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)NC(N)=N,DRUG_596
597,597,597,597,597,597,597,597,DB09378,Fluprednisolone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_597
598,598,598,598,598,598,598,598,DB00789,Gadopentetic acid,DrugBank,drug,[Gd+3].OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,DRUG_598
599,599,599,599,599,599,599,599,DB00979,Cyclopentolate,DrugBank,drug,CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1,DRUG_599
600,600,600,600,600,600,600,600,DB00011,Interferon alfa-n1,DrugBank,drug,,DRUG_600
601,601,601,601,601,601,601,601,DB03411,"2-Hydroxymethyl-Pyrrolidine-3,4-Diol",DrugBank,drug,OC[C@@H]1NC[C@H](O)[C@H]1O,DRUG_601
602,602,602,602,602,602,602,602,DB08976,Floctafenine,DrugBank,drug,OCC(O)COC(=O)C1=CC=CC=C1NC1=CC=NC2=C(C=CC=C12)C(F)(F)F,DRUG_602
603,603,603,603,603,603,603,603,DB05860,Peginterferon alfacon-1,DrugBank,drug,,DRUG_603
604,604,604,604,604,604,604,604,DB07750,"(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DrugBank,drug,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,DRUG_604
605,605,605,605,605,605,605,605,DB07116,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=C(C)C=CC=C12,DRUG_605
606,606,606,606,606,606,606,606,DB13173,Cerliponase alfa,DrugBank,drug,,DRUG_606
607,607,607,607,607,607,607,607,DB14856,PF-05089771,DrugBank,drug,NC1=C(C=NN1)C1=CC(Cl)=CC=C1OC1=CC(F)=C(C=C1Cl)S(=O)(=O)NC1=CSC=N1,DRUG_607
608,608,608,608,608,608,608,608,DB13769,Emetonium iodide,DrugBank,drug,[I-].CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_608
609,609,609,609,609,609,609,609,DB13398,Oxyfedrine,DrugBank,drug,COC1=CC(=CC=C1)C(=O)CCN[C@@H](C)[C@H](O)C1=CC=CC=C1,DRUG_609
610,610,610,610,610,610,610,610,DB12263,Begacestat,DrugBank,drug,OC[C@@H](NS(=O)(=O)C1=CC=C(Cl)S1)C(C(F)(F)F)C(F)(F)F,DRUG_610
611,611,611,611,611,611,611,611,DB12348,"5-amino-1,3,4-thiadiazole-2-thiol",DrugBank,drug,NC1=NN=C(S)S1,DRUG_611
612,612,612,612,612,612,612,612,DB06924,(2R)-2-benzyl-3-nitropropanoic acid,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(C[N+]([O-])=O)C(O)=O,DRUG_612
613,613,613,613,613,613,613,613,DB09014,Captodiame,DrugBank,drug,CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1,DRUG_613
614,614,614,614,614,614,614,614,DB12015,Alpelisib,DrugBank,drug,CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F,DRUG_614
615,615,615,615,615,615,615,615,DB12273,Ecopipam,DrugBank,drug,[H][C@]12CCC3=CC=CC=C3[C@]1([H])C1=CC(O)=C(Cl)C=C1CCN2C,DRUG_615
616,616,616,616,616,616,616,616,DB08420,1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC1=CC(=CC=C1)C#N)B(O)O,DRUG_616
617,617,617,617,617,617,617,617,DB00681,Amphotericin B,DrugBank,drug,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2,DRUG_617
618,618,618,618,618,618,618,618,DB12450,Propyl Gallate,DrugBank,drug,CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,DRUG_618
619,619,619,619,619,619,619,619,DB04142,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide",DrugBank,drug,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C,DRUG_619
620,620,620,620,620,620,620,620,DB03351,Sri-9439,DrugBank,drug,CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12,DRUG_620
621,621,621,621,621,621,621,621,DB13179,Troleandomycin,DrugBank,drug,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]([C@H]3OC(C)=O)N(C)C)[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,DRUG_621
622,622,622,622,622,622,622,622,DB16479,Inbakicept,DrugBank,drug,,DRUG_622
623,623,623,623,623,623,623,623,DB05667,Levoketoconazole,DrugBank,drug,CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,DRUG_623
624,624,624,624,624,624,624,624,DB16865,Rosmarinic acid,DrugBank,drug,OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C1=CC=C(O)C(O)=C1,DRUG_624
625,625,625,625,625,625,625,625,DB04819,Methapyrilene,DrugBank,drug,CN(C)CCN(CC1=CC=CS1)C1=NC=CC=C1,DRUG_625
626,626,626,626,626,626,626,626,DB04633,"N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine",DrugBank,drug,CCCNCCCNCCCNCC,DRUG_626
627,627,627,627,627,627,627,627,DB08361,"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide",DrugBank,drug,[H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O,DRUG_627
628,628,628,628,628,628,628,628,DB14533,Zinc chloride,DrugBank,drug,[Cl-].[Cl-].[Zn++],DRUG_628
629,629,629,629,629,629,629,629,DB06050,TB-402,DrugBank,drug,,DRUG_629
630,630,630,630,630,630,630,630,DB11861,Litronesib,DrugBank,drug,CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)C1=CC=CC=C1,DRUG_630
631,631,631,631,631,631,631,631,DB12513,Omaveloxolone,DrugBank,drug,CC(F)(F)C(=O)N[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,DRUG_631
632,632,632,632,632,632,632,632,DB05990,Obeticholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,DRUG_632
633,633,633,633,633,633,633,633,DB08987,Etidocaine,DrugBank,drug,CCCN(CC)C(CC)C(=O)NC1=C(C)C=CC=C1C,DRUG_633
634,634,634,634,634,634,634,634,DB07994,"N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE",DrugBank,drug,NC1=NC=CC=C1NCC1=C(OCC2=NC=CC=C2)C=CC(=C1)C1=CC2=C(C=CN2)C=C1,DRUG_634
635,635,635,635,635,635,635,635,DB02325,Isopropyl alcohol,DrugBank,drug,CC(C)O,DRUG_635
636,636,636,636,636,636,636,636,DB05483,Picolinic acid,DrugBank,drug,OC(=O)C1=CC=CC=N1,DRUG_636
637,637,637,637,637,637,637,637,DB03213,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone,DrugBank,drug,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C([NH3+])=[NH2+],DRUG_637
638,638,638,638,638,638,638,638,DB02895,3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol,DrugBank,drug,S\C=C\C[S@](=O)CC=C,DRUG_638
639,639,639,639,639,639,639,639,DB08382,Gosogliptin,DrugBank,drug,[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCC(F)(F)C1)N1CCN(CC1)C1=NC=CC=N1,DRUG_639
640,640,640,640,640,640,640,640,DB04917,Renzapride,DrugBank,drug,COC1=C(C=CC(N)=C1Cl)C(=O)NC1CCN2CCCC1C2,DRUG_640
641,641,641,641,641,641,641,641,DB11490,Nalorphine,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC=C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,DRUG_641
642,642,642,642,642,642,642,642,DB06933,N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide,DrugBank,drug,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1,DRUG_642
643,643,643,643,643,643,643,643,DB05157,KC706,DrugBank,drug,,DRUG_643
644,644,644,644,644,644,644,644,DB14006,Choline salicylate,DrugBank,drug,C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O,DRUG_644
645,645,645,645,645,645,645,645,DB00854,Levorphanol,DrugBank,drug,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2,DRUG_645
646,646,646,646,646,646,646,646,DB11793,Niraparib,DrugBank,drug,NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1,DRUG_646
647,647,647,647,647,647,647,647,DB01270,Ranibizumab,DrugBank,drug,,DRUG_647
648,648,648,648,648,648,648,648,DB06094,Apatorsen,DrugBank,drug,,DRUG_648
649,649,649,649,649,649,649,649,DB05766,Norclozapine,DrugBank,drug,ClC1=CC=C2NC3=C(C=CC=C3)C(=NC2=C1)N1CCNCC1,DRUG_649
650,650,650,650,650,650,650,650,DB00573,Fenoprofen,DrugBank,drug,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1,DRUG_650
651,651,651,651,651,651,651,651,DB13273,Sultopride,DrugBank,drug,CCN1CCCC1CNC(=O)C1=CC(=CC=C1OC)S(=O)(=O)CC,DRUG_651
652,652,652,652,652,652,652,652,DB12332,Rucaparib,DrugBank,drug,CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3,DRUG_652
653,653,653,653,653,653,653,653,DB07204,"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE",DrugBank,drug,[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2,DRUG_653
654,654,654,654,654,654,654,654,DB06283,Ziconotide,DrugBank,drug,,DRUG_654
655,655,655,655,655,655,655,655,DB00328,Indomethacin,DrugBank,drug,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O,DRUG_655
656,656,656,656,656,656,656,656,DB09240,Niludipine,DrugBank,drug,[H]N1C(C)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCOCCC)=C1C)C(=O)OCCOCCC,DRUG_656
657,657,657,657,657,657,657,657,DB01331,Cefoxitin,DrugBank,drug,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O,DRUG_657
658,658,658,658,658,658,658,658,DB08138,"{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide",DrugBank,drug,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1,DRUG_658
659,659,659,659,659,659,659,659,DB15627,Dostarlimab,DrugBank,drug,,DRUG_659
660,660,660,660,660,660,660,660,DB08170,"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE",DrugBank,drug,[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,DRUG_660
661,661,661,661,661,661,661,661,DB00432,Trifluridine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F,DRUG_661
662,662,662,662,662,662,662,662,DB01580,Oxprenolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC=C1OCC=C,DRUG_662
663,663,663,663,663,663,663,663,DB09508,Ferumoxides,DrugBank,drug,,DRUG_663
664,664,664,664,664,664,664,664,DB03703,Cyclohexanol,DrugBank,drug,OC1CCCCC1,DRUG_664
665,665,665,665,665,665,665,665,DB04551,"beta-D-fructofuranose 1,6-bisphosphate",DrugBank,drug,O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,DRUG_665
666,666,666,666,666,666,666,666,DB00578,Carbenicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O,DRUG_666
667,667,667,667,667,667,667,667,DB11883,SB-705498,DrugBank,drug,FC(F)(F)C1=CC=C(N=C1)N1CC[C@H](C1)NC(=O)NC1=CC=CC=C1Br,DRUG_667
668,668,668,668,668,668,668,668,DB01520,Tenocyclidine,DrugBank,drug,C1CCN(CC1)C1(CCCCC1)C1=CC=CS1,DRUG_668
669,669,669,669,669,669,669,669,DB06754,Danaparoid,DrugBank,drug,,DRUG_669
670,670,670,670,670,670,670,670,DB03766,Propanoic acid,DrugBank,drug,[H]CCC(O)=O,DRUG_670
671,671,671,671,671,671,671,671,DB09253,Safrazine,DrugBank,drug,CC(CCC1=CC2=C(OCO2)C=C1)NN,DRUG_671
672,672,672,672,672,672,672,672,DB11760,Talazoparib,DrugBank,drug,CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1,DRUG_672
673,673,673,673,673,673,673,673,DB11989,Benznidazole,DrugBank,drug,[O-][N+](=O)C1=NC=CN1CC(=O)NCC1=CC=CC=C1,DRUG_673
674,674,674,674,674,674,674,674,DB12557,FK-614,DrugBank,drug,CCCCCS(=O)(=O)NC(=O)C1=CC=C2N=C(C)N(CC3=CC=C(Cl)C=C3Cl)C2=C1,DRUG_674
675,675,675,675,675,675,675,675,DB07143,D-phenylalanyl-N-benzyl-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC=C1,DRUG_675
676,676,676,676,676,676,676,676,DB09413,Monopotassium phosphate,DrugBank,drug,[K+].OP(O)([O-])=O,DRUG_676
677,677,677,677,677,677,677,677,DB01432,Cholestyramine,DrugBank,drug,,DRUG_677
678,678,678,678,678,678,678,678,DB15327,Abivertinib,DrugBank,drug,CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1,DRUG_678
679,679,679,679,679,679,679,679,DB01583,Liotrix,DrugBank,drug,[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O,DRUG_679
680,680,680,680,680,680,680,680,DB02069,N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F,DRUG_680
681,681,681,681,681,681,681,681,DB00260,Cycloserine,DrugBank,drug,N[C@@H]1CONC1=O,DRUG_681
682,682,682,682,682,682,682,682,DB11655,Evacetrapib,DrugBank,drug,CN1N=NC(=N1)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)[C@H]1CCCN(C[C@H]2CC[C@@H](CC2)C(O)=O)C2=C1C=C(C)C=C2C,DRUG_682
683,683,683,683,683,683,683,683,DB01607,Ticarcillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O,DRUG_683
684,684,684,684,684,684,684,684,DB07111,"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid",DrugBank,drug,[H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,DRUG_684
685,685,685,685,685,685,685,685,DB11724,Bombesin,DrugBank,drug,[H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCC(=O)N([H])[H])N([H])C(=O)[C@@H]1CCC(=O)N1[H])C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])CC(=O)N([H])[C@@H](CC(=O)N([H])[H])C(=O)N([H])[C@@H](CCC(=O)N([H])[H])C(=O)N([H])[C@@H](CC1=CN([H])C2=CC=CC=C12)C(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])CC(=O)N([H])[C@@H](CC1=CN([H])C=N1)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CCSC)C(=O)N([H])[H],DRUG_685
686,686,686,686,686,686,686,686,DB01181,Ifosfamide,DrugBank,drug,ClCCNP1(=O)OCCCN1CCCl,DRUG_686
687,687,687,687,687,687,687,687,DB12259,CG-200745,DrugBank,drug,CN(C)CCCNC(=O)C(\COC1=C2C=CC=CC2=CC=C1)=C\CCCCC(=O)NO,DRUG_687
688,688,688,688,688,688,688,688,DB08788,"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE",DrugBank,drug,CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O,DRUG_688
689,689,689,689,689,689,689,689,DB11324,Nonivamide,DrugBank,drug,CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1,DRUG_689
690,690,690,690,690,690,690,690,DB00199,Erythromycin,DrugBank,drug,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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,DRUG_690
691,691,691,691,691,691,691,691,DB12638,Zelavespib,DrugBank,drug,CC(C)NCCCN1C(SC2=C(I)C=C3OCOC3=C2)=NC2=C(N)N=CN=C12,DRUG_691
692,692,692,692,692,692,692,692,DB09283,Trapidil,DrugBank,drug,CCN(CC)C1=CC(C)=NC2=NC=NN12,DRUG_692
693,693,693,693,693,693,693,693,DB06760,Sacrosidase,DrugBank,drug,,DRUG_693
694,694,694,694,694,694,694,694,DB04769,"5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE",DrugBank,drug,O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2,DRUG_694
695,695,695,695,695,695,695,695,DB00495,Zidovudine,DrugBank,drug,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,DRUG_695
696,696,696,696,696,696,696,696,DB00800,Fenoldopam,DrugBank,drug,OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12,DRUG_696
697,697,697,697,697,697,697,697,DB13408,Methylpropylpropanediol dinitrate,DrugBank,drug,CCCC(C)(CO[N+]([O-])=O)CO[N+]([O-])=O,DRUG_697
698,698,698,698,698,698,698,698,DB11577,Indigotindisulfonic acid,DrugBank,drug,OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1,DRUG_698
699,699,699,699,699,699,699,699,DB01454,Midomafetamine,DrugBank,drug,CNC(C)CC1=CC2=C(OCO2)C=C1,DRUG_699
700,700,700,700,700,700,700,700,DB03294,"1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide",DrugBank,drug,CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O,DRUG_700
701,701,701,701,701,701,701,701,DB00332,Ipratropium,DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C,DRUG_701
702,702,702,702,702,702,702,702,DB02279,Benzoylformic Acid,DrugBank,drug,OC(=O)C(=O)C1=CC=CC=C1,DRUG_702
703,703,703,703,703,703,703,703,DB04912,Stannsoporfin,DrugBank,drug,[Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,DRUG_703
704,704,704,704,704,704,704,704,DB05045,Obinepitide,DrugBank,drug,CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](CCC(O)=O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(O)=N)N=C(O)[C@H](CC(O)=O)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC(O)=N)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CCC(O)=N)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N,DRUG_704
705,705,705,705,705,705,705,705,DB05136,Bavituximab,DrugBank,drug,,DRUG_705
706,706,706,706,706,706,706,706,DB12903,DEBIO-1347,DrugBank,drug,CC1=NC2=CC=C(C=C2N1)N1N=CC(C(=O)C2=CC3=CC=CC=C3N2)=C1N,DRUG_706
707,707,707,707,707,707,707,707,DB00405,Dexbrompheniramine,DrugBank,drug,CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1,DRUG_707
708,708,708,708,708,708,708,708,DB06486,Enzastaurin,DrugBank,drug,CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12,DRUG_708
709,709,709,709,709,709,709,709,DB13151,Anti-inhibitor coagulant complex,DrugBank,drug,,DRUG_709
710,710,710,710,710,710,710,710,DB14240,Echinacea,DrugBank,drug,,DRUG_710
711,711,711,711,711,711,711,711,DB04233,(Hydroxyethyloxy)Tri(Ethyloxy)Octane,DrugBank,drug,CCCCCCCCOCCOCCOCCOCCO,DRUG_711
712,712,712,712,712,712,712,712,DB12416,VTP-27999,DrugBank,drug,[H][C@]1(CCCN(C1)C(=O)NC[C@H](C[C@H]1CCCOC1)NC)[C@@H](OCCNC(=O)OC)C1=CC=CC(Cl)=C1,DRUG_712
713,713,713,713,713,713,713,713,DB00874,Guaifenesin,DrugBank,drug,COC1=CC=CC=C1OCC(O)CO,DRUG_713
714,714,714,714,714,714,714,714,DB08292,"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",DrugBank,drug,OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl,DRUG_714
715,715,715,715,715,715,715,715,DB00632,Docosanol,DrugBank,drug,CCCCCCCCCCCCCCCCCCCCCCO,DRUG_715
716,716,716,716,716,716,716,716,DB07415,4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine,DrugBank,drug,[H][C@@](CC1=CC(=CC=C1OC)[N+]([O-])=O)(C1=CNC(N)=N1)C1=CC=C(OC)C(F)=C1,DRUG_716
717,717,717,717,717,717,717,717,DB06778,Cupric sulfate,DrugBank,drug,[Cu++].[O-]S([O-])(=O)=O,DRUG_717
718,718,718,718,718,718,718,718,DB13340,Suloctidil,DrugBank,drug,CCCCCCCCN[C@@H](C)[C@H](O)C1=CC=C(SC(C)C)C=C1,DRUG_718
719,719,719,719,719,719,719,719,DB13421,Edoxudine,DrugBank,drug,CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,DRUG_719
720,720,720,720,720,720,720,720,DB06314,SGX-523,DrugBank,drug,CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1,DRUG_720
721,721,721,721,721,721,721,721,DB00298,Dapiprazole,DrugBank,drug,CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1,DRUG_721
722,722,722,722,722,722,722,722,DB04540,Cholesterol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,DRUG_722
723,723,723,723,723,723,723,723,DB12612,Ozanimod,DrugBank,drug,CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N,DRUG_723
724,724,724,724,724,724,724,724,DB11814,PF-03882845,DrugBank,drug,OC(=O)C1=CC2=C(C=C1)C1=NN([C@@H](C3CCCC3)[C@H]1CC2)C1=CC=C(C#N)C(Cl)=C1,DRUG_724
725,725,725,725,725,725,725,725,DB12683,Lumretuzumab,DrugBank,drug,,DRUG_725
726,726,726,726,726,726,726,726,DB02281,Formycin,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O,DRUG_726
727,727,727,727,727,727,727,727,DB12847,Pyroxamide,DrugBank,drug,ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1,DRUG_727
728,728,728,728,728,728,728,728,DB00652,Pentazocine,DrugBank,drug,CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C,DRUG_728
729,729,729,729,729,729,729,729,DB06469,Lestaurtinib,DrugBank,drug,C[C@]12O[C@H](C[C@]1(O)CO)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C3C(=O)NC4)C3=CC=CC=C3N21,DRUG_729
730,730,730,730,730,730,730,730,DB01197,Captopril,DrugBank,drug,C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O,DRUG_730
731,731,731,731,731,731,731,731,DB07010,N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE,DrugBank,drug,ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1,DRUG_731
732,732,732,732,732,732,732,732,DB13689,Tacalcitol,DrugBank,drug,CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,DRUG_732
733,733,733,733,733,733,733,733,DB01820,2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid,DrugBank,drug,[H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O,DRUG_733
734,734,734,734,734,734,734,734,DB07358,"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",DrugBank,drug,CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1,DRUG_734
735,735,735,735,735,735,735,735,DB13472,Cyclofenil,DrugBank,drug,CC(=O)OC1=CC=C(C=C1)C(=C1CCCCC1)C1=CC=C(OC(C)=O)C=C1,DRUG_735
736,736,736,736,736,736,736,736,DB06905,"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",DrugBank,drug,[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC,DRUG_736
737,737,737,737,737,737,737,737,DB00482,Celecoxib,DrugBank,drug,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,DRUG_737
738,738,738,738,738,738,738,738,DB03650,(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One,DrugBank,drug,OC1=CC=C(C=C1)\N=C1/C(=O)NC2=CC=CC=C12,DRUG_738
739,739,739,739,739,739,739,739,DB12325,Idasanutlin,DrugBank,drug,COC1=CC(=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1C1=CC=CC(Cl)=C1F)C1=CC=C(Cl)C=C1F)C(O)=O,DRUG_739
740,740,740,740,740,740,740,740,DB09185,Viloxazine,DrugBank,drug,CCOC1=CC=CC=C1OCC1CNCCO1,DRUG_740
741,741,741,741,741,741,741,741,DB15265,USL-311,DrugBank,drug,CC(C)N1CCC(CC1)N1CCCN(CC1)C1=CC=CC(=N1)C(=O)NC1=CC=NC=C1,DRUG_741
742,742,742,742,742,742,742,742,DB08789,"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE",DrugBank,drug,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1,DRUG_742
743,743,743,743,743,743,743,743,DB03384,Fica,DrugBank,drug,FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1,DRUG_743
744,744,744,744,744,744,744,744,DB11268,Protocatechualdehyde,DrugBank,drug,[H]C(=O)C1=CC(O)=C(O)C=C1,DRUG_744
745,745,745,745,745,745,745,745,DB04821,Nomifensine,DrugBank,drug,CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2,DRUG_745
746,746,746,746,746,746,746,746,DB15462,Fucoxanthin,DrugBank,drug,CC(=O)O[C@H]1CC(C)(C)C(=[C@@]=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1,DRUG_746
747,747,747,747,747,747,747,747,DB00807,Proparacaine,DrugBank,drug,CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC,DRUG_747
748,748,748,748,748,748,748,748,DB00389,Carbimazole,DrugBank,drug,CCOC(=O)N1C=CN(C)C1=S,DRUG_748
749,749,749,749,749,749,749,749,DB09539,Omega-3-acid ethyl esters,DrugBank,drug,,DRUG_749
750,750,750,750,750,750,750,750,DB04306,"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine",DrugBank,drug,CC1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,DRUG_750
751,751,751,751,751,751,751,751,DB11910,MK-0249,DrugBank,drug,CC1=NC2=CC=CC(=C2C(=O)N1C1=CC=C(OCCCN2CCCC2)C=C1)C(F)(F)F,DRUG_751
752,752,752,752,752,752,752,752,DB09299,Tenofovir alafenamide,DrugBank,drug,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC1=CC=CC=C1,DRUG_752
753,753,753,753,753,753,753,753,DB15442,Trilaciclib,DrugBank,drug,CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1,DRUG_753
754,754,754,754,754,754,754,754,DB14491,Ferrous fumarate,DrugBank,drug,[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O,DRUG_754
755,755,755,755,755,755,755,755,DB04214,4-Nitrophenyl Phosphate,DrugBank,drug,OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_755
756,756,756,756,756,756,756,756,DB04478,"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine",DrugBank,drug,CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1,DRUG_756
757,757,757,757,757,757,757,757,DB12895,Olitigaltin,DrugBank,drug,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)N2C=C(N=N2)C2=CC=CC(F)=C2)[C@H](O)[C@H]([C@H]1O)N1C=C(N=N1)C1=CC(F)=CC=C1,DRUG_757
758,758,758,758,758,758,758,758,DB18122,PF-07059013,DrugBank,drug,C[C@H](OC1=CC2=CC(F)=CC=C2N=C1N)C1=C(C=CC(=O)N1)N1C=CC=N1,DRUG_758
759,759,759,759,759,759,759,759,DB07837,"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid",DrugBank,drug,OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1,DRUG_759
760,760,760,760,760,760,760,760,DB09023,Benactyzine,DrugBank,drug,CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_760
761,761,761,761,761,761,761,761,DB13745,Fazadinium bromide,DrugBank,drug,[Br-].[Br-].CC1=C(N(\N=N\N2C3=CC=CC=[N+]3C(C)=C2C2=CC=CC=C2)C2=CC=CC=[N+]12)C1=CC=CC=C1,DRUG_761
762,762,762,762,762,762,762,762,DB08251,4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID,DrugBank,drug,[H][C@@](CC(O)=O)(NC(=O)C1=CN=CC(=C1)C1=CC=C(C=C1)C(O)=O)C=O,DRUG_762
763,763,763,763,763,763,763,763,DB08248,3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE,DrugBank,drug,NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1,DRUG_763
764,764,764,764,764,764,764,764,DB06788,Histrelin,DrugBank,drug,CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1,DRUG_764
765,765,765,765,765,765,765,765,DB15766,Retifanlimab,DrugBank,drug,,DRUG_765
766,766,766,766,766,766,766,766,DB04000,Bromo-Willardiine,DrugBank,drug,N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O,DRUG_766
767,767,767,767,767,767,767,767,DB11971,Vilaprisan,DrugBank,drug,C[C@]12C[C@H](C3=CC=C(C=C3)S(C)(=O)=O)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F,DRUG_767
768,768,768,768,768,768,768,768,DB06292,Dapagliflozin,DrugBank,drug,CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1,DRUG_768
769,769,769,769,769,769,769,769,DB02763,5-Mercapto-2-Nitro-Benzoic Acid,DrugBank,drug,OC(=O)C1=CC(S)=CC=C1[N+]([O-])=O,DRUG_769
770,770,770,770,770,770,770,770,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",DrugBank,drug,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,DRUG_770
771,771,771,771,771,771,771,771,DB13307,Proscillaridin,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CCC4=C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C1=COC(=O)C=C1,DRUG_771
772,772,772,772,772,772,772,772,DB08950,Indoramin,DrugBank,drug,O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1,DRUG_772
773,773,773,773,773,773,773,773,DB00603,Medroxyprogesterone acetate,DrugBank,drug,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,DRUG_773
774,774,774,774,774,774,774,774,DB13578,Metabutethamine,DrugBank,drug,CC(C)CNCCOC(=O)C1=CC=CC(N)=C1,DRUG_774
775,775,775,775,775,775,775,775,DB06152,Nylidrin,DrugBank,drug,CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1,DRUG_775
776,776,776,776,776,776,776,776,DB06817,Raltegravir,DrugBank,drug,CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1,DRUG_776
777,777,777,777,777,777,777,777,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",DrugBank,drug,CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1,DRUG_777
778,778,778,778,778,778,778,778,DB08746,1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE,DrugBank,drug,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1,DRUG_778
779,779,779,779,779,779,779,779,DB01307,Insulin detemir,DrugBank,drug,,DRUG_779
780,780,780,780,780,780,780,780,DB04767,N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID,DrugBank,drug,CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_780
781,781,781,781,781,781,781,781,DB08775,Benzoyl-tyrosine-alanine-fluoro-methyl ketone,DrugBank,drug,C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CF,DRUG_781
782,782,782,782,782,782,782,782,DB01037,Selegiline,DrugBank,drug,C[C@H](CC1=CC=CC=C1)N(C)CC#C,DRUG_782
783,783,783,783,783,783,783,783,DB00240,Alclometasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C,DRUG_783
784,784,784,784,784,784,784,784,DB08965,Fusafungine,DrugBank,drug,[H]C1(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C1=O)C(C)C)C(C)C)C(C)C,DRUG_784
785,785,785,785,785,785,785,785,DB13146,Fluciclovine (18F),DrugBank,drug,N[C@]1(C[C@H]([18F])C1)C(O)=O,DRUG_785
786,786,786,786,786,786,786,786,DB05611,Apilimod,DrugBank,drug,CC1=CC=CC(\C=N\NC2=CC(=NC(OCCC3=CC=CC=N3)=N2)N2CCOCC2)=C1,DRUG_786
787,787,787,787,787,787,787,787,DB14969,GTX-758,DrugBank,drug,OC1=CC=C(C=C1)N(C(=O)C1=CC=C(O)C(F)=C1)C1=CC=C(F)C=C1,DRUG_787
788,788,788,788,788,788,788,788,DB05039,Indacaterol,DrugBank,drug,CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,DRUG_788
789,789,789,789,789,789,789,789,DB01427,Amrinone,DrugBank,drug,NC1=CC(=CNC1=O)C1=CC=NC=C1,DRUG_789
790,790,790,790,790,790,790,790,DB13894,Agkistrodon piscivorus antivenin,DrugBank,drug,,DRUG_790
791,791,791,791,791,791,791,791,DB01182,Propafenone,DrugBank,drug,CCCNCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1,DRUG_791
792,792,792,792,792,792,792,792,DB00488,Altretamine,DrugBank,drug,CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C,DRUG_792
793,793,793,793,793,793,793,793,DB18405,Crisdesalazine,DrugBank,drug,OC(=O)C1=CC(NCCC2=CC=C(C=C2)C(F)(F)F)=CC=C1O,DRUG_793
794,794,794,794,794,794,794,794,DB01180,Rescinnamine,DrugBank,drug,[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,DRUG_794
795,795,795,795,795,795,795,795,DB04776,(2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol,DrugBank,drug,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC1=CC=CC=C1,DRUG_795
796,796,796,796,796,796,796,796,DB08130,"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine",DrugBank,drug,NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,DRUG_796
797,797,797,797,797,797,797,797,DB07713,"(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",DrugBank,drug,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O,DRUG_797
798,798,798,798,798,798,798,798,DB00280,Disopyramide,DrugBank,drug,CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C,DRUG_798
799,799,799,799,799,799,799,799,DB08768,N(6)-dimethylallyladenine,DrugBank,drug,CC(C)=CCNC1=NC=NC2=C1N=CN2,DRUG_799
800,800,800,800,800,800,800,800,DB08954,Ifenprodil,DrugBank,drug,CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1,DRUG_800
801,801,801,801,801,801,801,801,DB12139,Alisporivir,DrugBank,drug,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C,DRUG_801
802,802,802,802,802,802,802,802,DB11624,Epoetin delta,DrugBank,drug,,DRUG_802
803,803,803,803,803,803,803,803,DB12831,Gabexate,DrugBank,drug,CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1,DRUG_803
804,804,804,804,804,804,804,804,DB03159,CRA_8696,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(=C1[O-])C1=CC=CC=C1,DRUG_804
805,805,805,805,805,805,805,805,DB00172,Proline,DrugBank,drug,OC(=O)[C@@H]1CCCN1,DRUG_805
806,806,806,806,806,806,806,806,DB03821,2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid,DrugBank,drug,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OP(O)(O)=O,DRUG_806
807,807,807,807,807,807,807,807,DB12008,Prexasertib,DrugBank,drug,COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1,DRUG_807
808,808,808,808,808,808,808,808,DB01926,Carboxymycobactin S,DrugBank,drug,C[C@H]1C[C@H](O)N[C@@H]2CCCCN(O[Fe@@]34O[C@@H](\C=C\CCCCCCC(O)=O)[N@](CCCC[C@H](NC(=O)[C@H]5COC(=N5)C5=CC=CC=C5O3)C(=O)O1)O4)C2=O,DRUG_808
809,809,809,809,809,809,809,809,DB12486,Elobixibat,DrugBank,drug,CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)NCC(O)=O)C3=CC=CC=C3)C=C2S(=O)(=O)C1,DRUG_809
810,810,810,810,810,810,810,810,DB11896,Gedatolisib,DrugBank,drug,CN(C)C1CCN(CC1)C(=O)C1=CC=C(NC(=O)NC2=CC=C(C=C2)C2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C=C1,DRUG_810
811,811,811,811,811,811,811,811,DB06205,Hyaluronidase (human recombinant),DrugBank,drug,,DRUG_811
812,812,812,812,812,812,812,812,DB15038,Litoxetine,DrugBank,drug,C(OC1CCNCC1)C1=CC=C2C=CC=CC2=C1,DRUG_812
813,813,813,813,813,813,813,813,DB02900,alpha-D-mannose 6-phosphate,DrugBank,drug,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_813
814,814,814,814,814,814,814,814,DB12396,Fresolimumab,DrugBank,drug,,DRUG_814
815,815,815,815,815,815,815,815,DB01241,Gemfibrozil,DrugBank,drug,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,DRUG_815
816,816,816,816,816,816,816,816,DB09118,Stiripentol,DrugBank,drug,CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1,DRUG_816
817,817,817,817,817,817,817,817,DB00287,Travoprost,DrugBank,drug,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F,DRUG_817
818,818,818,818,818,818,818,818,DB08095,"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA",DrugBank,drug,[H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O,DRUG_818
819,819,819,819,819,819,819,819,DB00148,Creatine,DrugBank,drug,CN(CC(O)=O)C(N)=N,DRUG_819
820,820,820,820,820,820,820,820,DB07543,(S)-carazolol,DrugBank,drug,CC(C)NC[C@H](O)COC1=CC=CC2=C1C1=CC=CC=C1N2,DRUG_820
821,821,821,821,821,821,821,821,DB03056,4-Piperidino-Piperidine,DrugBank,drug,C1CCN(CC1)C1CCNCC1,DRUG_821
822,822,822,822,822,822,822,822,DB01424,Aminophenazone,DrugBank,drug,CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,DRUG_822
823,823,823,823,823,823,823,823,DB13259,Ethyl chloride,DrugBank,drug,CCCl,DRUG_823
824,824,824,824,824,824,824,824,DB03130,S-P-Nitrobenzyloxycarbonylglutathione,DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSC(O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_824
825,825,825,825,825,825,825,825,DB03501,Galactose-uridine-5'-diphosphate,DrugBank,drug,OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,DRUG_825
826,826,826,826,826,826,826,826,DB11781,Tosedostat,DrugBank,drug,CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1,DRUG_826
827,827,827,827,827,827,827,827,DB14891,Vobarilizumab,DrugBank,drug,,DRUG_827
828,828,828,828,828,828,828,828,DB04371,AL6528,DrugBank,drug,COC1=CC(=CC=C1)N1C=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,DRUG_828
829,829,829,829,829,829,829,829,DB01004,Ganciclovir,DrugBank,drug,NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1,DRUG_829
830,830,830,830,830,830,830,830,DB02936,4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid,DrugBank,drug,CC1=C(CC(N)=O)C2=C(C=CC(OCCCC(O)=O)=C2)N1CC1=CC=CC=C1,DRUG_830
831,831,831,831,831,831,831,831,DB07851,"(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE",DrugBank,drug,[H][C@]1(N)CCN(C[C@@]1([H])C1=CC(C)=CC=C1)C1=CC(OC)=C(OC)C=C1,DRUG_831
832,832,832,832,832,832,832,832,DB03345,Mercaptoethanol,DrugBank,drug,OCCS,DRUG_832
833,833,833,833,833,833,833,833,DB00497,Oxycodone,DrugBank,drug,COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C,DRUG_833
834,834,834,834,834,834,834,834,DB00824,Enprofylline,DrugBank,drug,CCCN1C2=C(NC=N2)C(=O)NC1=O,DRUG_834
835,835,835,835,835,835,835,835,DB12282,Defactinib,DrugBank,drug,CNC(=O)C1=CC=C(NC2=NC=C(C(NCC3=C(N=CC=N3)N(C)S(C)(=O)=O)=N2)C(F)(F)F)C=C1,DRUG_835
836,836,836,836,836,836,836,836,DB15399,BMS-754807,DrugBank,drug,C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1,DRUG_836
837,837,837,837,837,837,837,837,DB00439,Cerivastatin,DrugBank,drug,COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C,DRUG_837
838,838,838,838,838,838,838,838,DB05044,PSN357,DrugBank,drug,,DRUG_838
839,839,839,839,839,839,839,839,DB06350,Elinogrel,DrugBank,drug,CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1,DRUG_839
840,840,840,840,840,840,840,840,DB07380,"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(=O)C(F)(F)F,DRUG_840
841,841,841,841,841,841,841,841,DB00475,Chlordiazepoxide,DrugBank,drug,CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1,DRUG_841
842,842,842,842,842,842,842,842,DB07836,1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL,DrugBank,drug,[H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC,DRUG_842
843,843,843,843,843,843,843,843,DB01282,Carbetocin,DrugBank,drug,[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC,DRUG_843
844,844,844,844,844,844,844,844,DB13575,Bietaserpine,DrugBank,drug,CCN(CC)CCN1C2=CC(OC)=CC=C2C2=C1[C@H]1C[C@H]3[C@H](C[C@@H](OC(=O)C4=CC(OC)=C(OC)C(OC)=C4)[C@H](OC)[C@H]3C(=O)OC)CN1CC2,DRUG_844
845,845,845,845,845,845,845,845,DB07919,Harmine,DrugBank,drug,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1,DRUG_845
846,846,846,846,846,846,846,846,DB18676,Palopegteriparatide,DrugBank,drug,,DRUG_846
847,847,847,847,847,847,847,847,DB00454,Meperidine,DrugBank,drug,CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1,DRUG_847
848,848,848,848,848,848,848,848,DB00862,Vardenafil,DrugBank,drug,CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1,DRUG_848
849,849,849,849,849,849,849,849,DB18718,RVT-3101,DrugBank,drug,,DRUG_849
850,850,850,850,850,850,850,850,DB07801,N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide,DrugBank,drug,CCCCNC(=O)C1=CC=CC(NC(=O)CCCCCNC2=C3N=CNC3=NC=N2)=C1,DRUG_850
851,851,851,851,851,851,851,851,DB14013,SR-9009,DrugBank,drug,CCOC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,DRUG_851
852,852,852,852,852,852,852,852,DB05444,Iroxanadine,DrugBank,drug,C(C1CONC(=N1)C1=CN=CC=C1)N1CCCCC1,DRUG_852
853,853,853,853,853,853,853,853,DB14184,Cinnamaldehyde,DrugBank,drug,O=C\C=C\C1=CC=CC=C1,DRUG_853
854,854,854,854,854,854,854,854,DB11914,Lebrikizumab,DrugBank,drug,,DRUG_854
855,855,855,855,855,855,855,855,DB04315,Guanosine-5'-Diphosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_855
856,856,856,856,856,856,856,856,DB06941,(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide,DrugBank,drug,CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1,DRUG_856
857,857,857,857,857,857,857,857,DB03536,Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate,DrugBank,drug,C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1)C(=O)CF,DRUG_857
858,858,858,858,858,858,858,858,DB00458,Imipramine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_858
859,859,859,859,859,859,859,859,DB13995,Ferric pyrophosphate citrate,DrugBank,drug,[Fe+3].[Fe+3].[Fe+3].[Fe+3].OP(O)(=O)OP(O)(O)=O.OP(O)(=O)OP(O)(O)=O.OP([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_859
860,860,860,860,860,860,860,860,DB04081,"(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide",DrugBank,drug,[H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,DRUG_860
861,861,861,861,861,861,861,861,DB12018,Ulocuplumab,DrugBank,drug,,DRUG_861
862,862,862,862,862,862,862,862,DB03510,6-O-Phosphoryl Inosine Monophosphate,DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O,DRUG_862
863,863,863,863,863,863,863,863,DB05946,KOS-2187,DrugBank,drug,COC1(C)CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C(C)C)C(C)(O)CC(C)C(O)C(C)C(O)C(C)(O)C(OC(=O)C2C)C2=CC=CC=C2)OC(C)C1O,DRUG_863
864,864,864,864,864,864,864,864,DB12230,Bunazosin,DrugBank,drug,CCCC(=O)N1CCCN(CC1)C1=NC(N)=C2C=C(OC)C(OC)=CC2=N1,DRUG_864
865,865,865,865,865,865,865,865,DB02142,Pyridoxamine-5'-Phosphate,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(CN)=C1O,DRUG_865
866,866,866,866,866,866,866,866,DB08690,Ubiquinone Q2,DrugBank,drug,COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O,DRUG_866
867,867,867,867,867,867,867,867,DB06681,Belatacept,DrugBank,drug,,DRUG_867
868,868,868,868,868,868,868,868,DB00452,Framycetin,DrugBank,drug,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)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)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,DRUG_868
869,869,869,869,869,869,869,869,DB02081,Bis-Benzamidine,DrugBank,drug,[H][C@@]1(CC2=CC=C(C=C2)C(N)=N)CCCC[C@@]([H])(CC2=CC=C(C=C2)C(N)=N)C1=O,DRUG_869
870,870,870,870,870,870,870,870,DB08043,1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA,DrugBank,drug,FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1,DRUG_870
871,871,871,871,871,871,871,871,DB02277,1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea,DrugBank,drug,CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C,DRUG_871
872,872,872,872,872,872,872,872,DB10349,Paspalum notatum pollen,DrugBank,drug,,DRUG_872
873,873,873,873,873,873,873,873,DB05679,Ustekinumab,DrugBank,drug,,DRUG_873
874,874,874,874,874,874,874,874,DB07733,"1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE",DrugBank,drug,CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F,DRUG_874
875,875,875,875,875,875,875,875,DB00989,Rivastigmine,DrugBank,drug,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,DRUG_875
876,876,876,876,876,876,876,876,DB00146,Calcifediol,DrugBank,drug,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,DRUG_876
877,877,877,877,877,877,877,877,DB06707,Levonordefrin,DrugBank,drug,C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1,DRUG_877
878,878,878,878,878,878,878,878,DB06483,PW2101,DrugBank,drug,,DRUG_878
879,879,879,879,879,879,879,879,DB16106,GSK2256098,DrugBank,drug,CONC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=NN2C(C)C)=NC=C1Cl,DRUG_879
880,880,880,880,880,880,880,880,DB15495,Rocaglamide,DrugBank,drug,COC1=CC=C(C=C1)[C@@]12OC3=C(C(OC)=CC(OC)=C3)[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N(C)C,DRUG_880
881,881,881,881,881,881,881,881,DB07462,"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE",DrugBank,drug,OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O,DRUG_881
882,882,882,882,882,882,882,882,DB03541,"10-Propargyl-5,8-Dideazafolic Acid",DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(CC#C)CC1=CC=C2NC(N)=NC(=O)C2=C1)C(O)=O,DRUG_882
883,883,883,883,883,883,883,883,DB07141,"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DrugBank,drug,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1,DRUG_883
884,884,884,884,884,884,884,884,DB13629,Mofebutazone,DrugBank,drug,CCCCC1C(=O)NN(C1=O)C1=CC=CC=C1,DRUG_884
885,885,885,885,885,885,885,885,DB01030,Topotecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O,DRUG_885
886,886,886,886,886,886,886,886,DB13093,TAK-593,DrugBank,drug,CN1N=C(C)C=C1C(=O)NC1=CC(OC2=NN3C=C(NC(=O)C4CC4)N=C3C=C2)=CC=C1C,DRUG_886
887,887,887,887,887,887,887,887,DB02207,7-Nitroindazole,DrugBank,drug,O=N(=O)C1=CC=CC2=CNN=C12,DRUG_887
888,888,888,888,888,888,888,888,DB15699,Brexucabtagene autoleucel,DrugBank,drug,,DRUG_888
889,889,889,889,889,889,889,889,DB12463,Semagacestat,DrugBank,drug,CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1C2=CC=CC=C2CCN(C)C1=O,DRUG_889
890,890,890,890,890,890,890,890,DB16650,Deucravacitinib,DrugBank,drug,[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1,DRUG_890
891,891,891,891,891,891,891,891,DB09321,Zinc oxide,DrugBank,drug,O=[Zn],DRUG_891
892,892,892,892,892,892,892,892,DB19206,ONO-5334,DrugBank,drug,C[C@@H]1CS\C(=N/NC(=O)C(=O)[C@@H](NC(=O)C2CCCCCC2)C2CCOCC2)N1C,DRUG_892
893,893,893,893,893,893,893,893,DB12833,Tandospirone,DrugBank,drug,[H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CCCCN3CCN(CC3)C3=NC=CC=N3)C(=O)[C@]21[H],DRUG_893
894,894,894,894,894,894,894,894,DB13236,Stibophen,DrugBank,drug,O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Sb+3].[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C1=C([O-])C(=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O,DRUG_894
895,895,895,895,895,895,895,895,DB04521,4-S-Glutathionyl-5-pentyl-tetrahydro-furan-2-ol,DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@@]1([H])C[C@H](O)O[C@@H]1CCCCC)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_895
896,896,896,896,896,896,896,896,DB08549,"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER",DrugBank,drug,[H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC,DRUG_896
897,897,897,897,897,897,897,897,DB04581,1-benzylimidazole,DrugBank,drug,C(N1C=CN=C1)C1=CC=CC=C1,DRUG_897
898,898,898,898,898,898,898,898,DB00026,Anakinra,DrugBank,drug,,DRUG_898
899,899,899,899,899,899,899,899,DB12082,Vesnarinone,DrugBank,drug,COC1=C(OC)C=C(C=C1)C(=O)N1CCN(CC1)C1=CC=C2NC(=O)CCC2=C1,DRUG_899
900,900,900,900,900,900,900,900,DB18740,Nogapendekin alfa,DrugBank,drug,,DRUG_900
901,901,901,901,901,901,901,901,DB17919,CPP-115 free base,DrugBank,drug,N[C@H]1C[C@H](CC1=C(F)F)C(O)=O,DRUG_901
902,902,902,902,902,902,902,902,DB07180,"5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide",DrugBank,drug,[H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C,DRUG_902
903,903,903,903,903,903,903,903,DB11383,Carbomycin,DrugBank,drug,[H][C@@]1(C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\[C@@H]3O[C@H]3C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,DRUG_903
904,904,904,904,904,904,904,904,DB02161,Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester,DrugBank,drug,[H][C@](O)(C(=O)O[C@@]1([H])C[C@]2([H])CC[C@]([H])(C1)N2C)C1=CC=CC=C1,DRUG_904
905,905,905,905,905,905,905,905,DB16112,OT-730,DrugBank,drug,CC1=CC(O)=C(O)C=C1C(=O)OC[C@H](CNC(C)(C)CNC(=O)C1CCOC1)OC(=O)C1(C)CC1,DRUG_905
906,906,906,906,906,906,906,906,DB00225,Gadodiamide,DrugBank,drug,[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O,DRUG_906
907,907,907,907,907,907,907,907,DB15825,Dihydroxyaluminum sodium carbonate,DrugBank,drug,[Na+].O[Al+]O.[O-]C([O-])=O,DRUG_907
908,908,908,908,908,908,908,908,DB05607,PRX-08066,DrugBank,drug,OC(=O)\C=C\C(O)=O.FC1=C(C=C(CN2CCC(CC2)NC2=C3C=C(Cl)SC3=NC=N2)C=C1)C#N,DRUG_908
909,909,909,909,909,909,909,909,DB04312,"2,3-Difluorobenzyl Alcohol",DrugBank,drug,OCC1=CC=CC(F)=C1F,DRUG_909
910,910,910,910,910,910,910,910,DB02528,Tetrazolyl Histidine,DrugBank,drug,[H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O,DRUG_910
911,911,911,911,911,911,911,911,DB02485,Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid,DrugBank,drug,[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO,DRUG_911
912,912,912,912,912,912,912,912,DB08994,Ditazole,DrugBank,drug,OCCN(CCO)C1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_912
913,913,913,913,913,913,913,913,DB00802,Alfentanil,DrugBank,drug,CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O,DRUG_913
914,914,914,914,914,914,914,914,DB01276,Exenatide,DrugBank,drug,,DRUG_914
915,915,915,915,915,915,915,915,DB13724,Nifuratel,DrugBank,drug,CSCC1CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C(=O)O1,DRUG_915
916,916,916,916,916,916,916,916,DB09124,Medrogestone,DrugBank,drug,[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,DRUG_916
917,917,917,917,917,917,917,917,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",DrugBank,drug,NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=CC=C1)[C@H](O)CCl,DRUG_917
918,918,918,918,918,918,918,918,DB06701,Dexmethylphenidate,DrugBank,drug,[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1,DRUG_918
919,919,919,919,919,919,919,919,DB04660,Choline alfoscerate,DrugBank,drug,[H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C,DRUG_919
920,920,920,920,920,920,920,920,DB03577,Alpha-Benzyl-Aminobenzyl-Phosphonic Acid,DrugBank,drug,[H][C@](NCC1=CC=CC=C1)(C1=CC=CC=C1)P(O)(O)=O,DRUG_920
921,921,921,921,921,921,921,921,DB05364,ROX-888,DrugBank,drug,,DRUG_921
922,922,922,922,922,922,922,922,DB09190,Talopram,DrugBank,drug,[H]N(C)CCCC1(OC(C)(C)C2=CC=CC=C12)C1=CC=CC=C1,DRUG_922
923,923,923,923,923,923,923,923,DB11519,Fluprostenol,DrugBank,drug,O[C@@H](COC1=CC=CC(=C1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_923
924,924,924,924,924,924,924,924,DB01569,Formebolone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C,DRUG_924
925,925,925,925,925,925,925,925,DB06880,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",DrugBank,drug,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#CC,DRUG_925
926,926,926,926,926,926,926,926,DB01878,Benzophenone,DrugBank,drug,O=C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_926
927,927,927,927,927,927,927,927,DB04089,AL5300,DrugBank,drug,[H][C@]1(O)CN(CC2=CC=CS2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_927
928,928,928,928,928,928,928,928,DB12112,Zuretinol acetate,DrugBank,drug,CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,DRUG_928
929,929,929,929,929,929,929,929,DB07396,AVE-2865,DrugBank,drug,OC(=O)C1CCN(CC1)C1=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C=C(F)C=C1,DRUG_929
930,930,930,930,930,930,930,930,DB16943,STX-107,DrugBank,drug,CC1=NC(=CS1)C#CC1=CC=C(N=C1)C1=CC(=CC(F)=C1)C#N,DRUG_930
931,931,931,931,931,931,931,931,DB03485,alpha-D-Fucopyranose,DrugBank,drug,C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,DRUG_931
932,932,932,932,932,932,932,932,DB01572,Methyl-1-testosterone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,DRUG_932
933,933,933,933,933,933,933,933,DB00978,Lomefloxacin,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12,DRUG_933
934,934,934,934,934,934,934,934,DB06997,"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide",DrugBank,drug,FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1,DRUG_934
935,935,935,935,935,935,935,935,DB00586,Diclofenac,DrugBank,drug,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,DRUG_935
936,936,936,936,936,936,936,936,DB06951,(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid,DrugBank,drug,[H][C@](CC)(C(O)=O)[C@]([H])(NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,DRUG_936
937,937,937,937,937,937,937,937,DB06228,Rivaroxaban,DrugBank,drug,[H][C@]1(CNC(=O)C2=CC=C(Cl)S2)CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O,DRUG_937
938,938,938,938,938,938,938,938,DB05854,CLX-0921,DrugBank,drug,,DRUG_938
939,939,939,939,939,939,939,939,DB17029,Go-6976,DrugBank,drug,CN1C2=C(C=CC=C2)C2=C1C1=C(C3=C2C(=O)NC3)C2=CC=CC=C2N1CCC#N,DRUG_939
940,940,940,940,940,940,940,940,DB04318,Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide,DrugBank,drug,[H]N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCC1=CC=CC=C1)CP(O)(=O)[C@@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1,DRUG_940
941,941,941,941,941,941,941,941,DB08569,"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE",DrugBank,drug,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1,DRUG_941
942,942,942,942,942,942,942,942,DB08164,"(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE",DrugBank,drug,[H][C@]1(N)CN(CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=NC=NC(=C1)C1=CC=CC(=C1)S(C)(=O)=O,DRUG_942
943,943,943,943,943,943,943,943,DB00518,Albendazole,DrugBank,drug,CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,DRUG_943
944,944,944,944,944,944,944,944,DB08703,"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one",DrugBank,drug,CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1,DRUG_944
945,945,945,945,945,945,945,945,DB08142,AT-7519,DrugBank,drug,ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1,DRUG_945
946,946,946,946,946,946,946,946,DB03072,"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone",DrugBank,drug,CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O,DRUG_946
947,947,947,947,947,947,947,947,DB12457,Rimegepant,DrugBank,drug,N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N2C(=O)NC3=NC=CC=C23)C2=C1C=CC=N2)C1=C(F)C(F)=CC=C1,DRUG_947
948,948,948,948,948,948,948,948,DB16693,Insulin icodec,DrugBank,drug,,DRUG_948
949,949,949,949,949,949,949,949,DB15190,GLPG-0259,DrugBank,drug,CC(C)N1C[C@@H]2C[C@H]1CN2C1=CC=C(NC2=NC=C(N3N=CN=C23)C2=COC(=C2)C(N)=O)C=C1,DRUG_949
950,950,950,950,950,950,950,950,DB12846,Reproterol,DrugBank,drug,CN1C2=C(N(CCCNCC(O)C3=CC(O)=CC(O)=C3)C=N2)C(=O)N(C)C1=O,DRUG_950
951,951,951,951,951,951,951,951,DB06783,Prussian blue,DrugBank,drug,[Fe+3].[Fe+3].[Fe+3].[Fe+3].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N,DRUG_951
952,952,952,952,952,952,952,952,DB04369,"1,3,2-Dioxaborolan-2-Ol",DrugBank,drug,OB1OCCO1,DRUG_952
953,953,953,953,953,953,953,953,DB12446,Derenofylline,DrugBank,drug,O[C@H]1CC[C@@H](CC1)NC1=C2C=CNC2=NC(=N1)C1=CC=CC=C1,DRUG_953
954,954,954,954,954,954,954,954,DB11767,Sarilumab,DrugBank,drug,,DRUG_954
955,955,955,955,955,955,955,955,DB02681,"2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium",DrugBank,drug,[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,DRUG_955
956,956,956,956,956,956,956,956,DB00176,Fluvoxamine,DrugBank,drug,COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F,DRUG_956
957,957,957,957,957,957,957,957,DB00418,Secobarbital,DrugBank,drug,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,DRUG_957
958,958,958,958,958,958,958,958,DB11248,Zinc gluconate,DrugBank,drug,[Zn++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,DRUG_958
959,959,959,959,959,959,959,959,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",DrugBank,drug,[H]N([H])C(=O)C1=C(\C=C\C(=O)N(CC2=NC3=C(C=C2)N([H])C(=NC3=O)N([H])[H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_959
960,960,960,960,960,960,960,960,DB00462,Methscopolamine bromide,DrugBank,drug,[Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_960
961,961,961,961,961,961,961,961,DB02705,"6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DrugBank,drug,[H][C@]1(NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2)C(C)C,DRUG_961
962,962,962,962,962,962,962,962,DB01485,4-Hydroxytestosterone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,DRUG_962
963,963,963,963,963,963,963,963,DB19202,Acoltremon,DrugBank,drug,COC1=CC=C(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C=C1,DRUG_963
964,964,964,964,964,964,964,964,DB17635,Nedosiran,DrugBank,drug,,DRUG_964
965,965,965,965,965,965,965,965,DB01196,Estramustine,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H],DRUG_965
966,966,966,966,966,966,966,966,DB17055,SNX-2112,DrugBank,drug,CC1(C)CC2=C(C(=NN2C2=CC=C(C(N)=O)C(N[C@H]3CC[C@H](O)CC3)=C2)C(F)(F)F)C(=O)C1,DRUG_966
967,967,967,967,967,967,967,967,DB06436,Semaxanib,DrugBank,drug,CC1=CC(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12,DRUG_967
968,968,968,968,968,968,968,968,DB13036,Ramatroban,DrugBank,drug,[H][C@]1(CCC2=C(C1)C1=CC=CC=C1N2CCC(O)=O)NS(=O)(=O)C1=CC=C(F)C=C1,DRUG_968
969,969,969,969,969,969,969,969,DB06994,"(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine",DrugBank,drug,[H][C@@](N)(C(F)=C1CCCC1)[C@]([H])(CC1CC1)C1=NC(=NO1)C1=CC=C(C=C1Cl)S(C)(=O)=O,DRUG_969
970,970,970,970,970,970,970,970,DB13532,Cyclopenthiazide,DrugBank,drug,NS(=O)(=O)C1=CC2=C(NC(CC3CCCC3)NS2(=O)=O)C=C1Cl,DRUG_970
971,971,971,971,971,971,971,971,DB11126,Calcium gluconate,DrugBank,drug,[Ca++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,DRUG_971
972,972,972,972,972,972,972,972,DB13718,Hydroquinine,DrugBank,drug,CC[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1,DRUG_972
973,973,973,973,973,973,973,973,DB16697,Glutazumab,DrugBank,drug,,DRUG_973
974,974,974,974,974,974,974,974,DB01344,Tolevamer,DrugBank,drug,,DRUG_974
975,975,975,975,975,975,975,975,DB03444,6-bromoindirubin-3'-oxime,DrugBank,drug,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12,DRUG_975
976,976,976,976,976,976,976,976,DB08824,Ioflupane I-123,DrugBank,drug,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C([123I])C=C1)C(=O)OC)N2CCCF,DRUG_976
977,977,977,977,977,977,977,977,DB12028,Broxuridine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(Br)C(=O)NC1=O,DRUG_977
978,978,978,978,978,978,978,978,DB14876,TAS-116,DrugBank,drug,CCC1=CC(=CC=C1N1N=C(C(C)C)C2=C1N=CC=C2N1C=NC(=C1)C1=CN(C)N=C1)C(N)=O,DRUG_978
979,979,979,979,979,979,979,979,DB00014,Goserelin,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,DRUG_979
980,980,980,980,980,980,980,980,DB15580,Climbazole,DrugBank,drug,CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=CN=C1,DRUG_980
981,981,981,981,981,981,981,981,DB07829,4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE,DrugBank,drug,FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1,DRUG_981
982,982,982,982,982,982,982,982,DB02759,4-methyl-umbelliferyl-N-acetyl-chitobiose,DrugBank,drug,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC4=C(C=C3)C(C)=CC(=O)O4)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,DRUG_982
983,983,983,983,983,983,983,983,DB13161,Nusinersen,DrugBank,drug,,DRUG_983
984,984,984,984,984,984,984,984,DB13430,Mebutizide,DrugBank,drug,CCC(C)C(C)C1NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O,DRUG_984
985,985,985,985,985,985,985,985,DB07124,"(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE",DrugBank,drug,[H][C@@](N)(COC1=CN=CC(=C1)C1=NCC2=NN=CC2=C1)CC1=C2C=CCC=C2N=C1,DRUG_985
986,986,986,986,986,986,986,986,DB00237,Butabarbital,DrugBank,drug,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,DRUG_986
987,987,987,987,987,987,987,987,DB05227,APD791,DrugBank,drug,,DRUG_987
988,988,988,988,988,988,988,988,DB14960,Somatrogon,DrugBank,drug,,DRUG_988
989,989,989,989,989,989,989,989,DB03623,"9-(4-Hydroxyphenyl)-2,7-Phenanthroline",DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1,DRUG_989
990,990,990,990,990,990,990,990,DB11759,Pevonedistat,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)N1C=CC2=C(N[C@@]3([H])CCC4=CC=CC=C34)N=CN=C12,DRUG_990
991,991,991,991,991,991,991,991,DB04204,[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid,DrugBank,drug,OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1,DRUG_991
992,992,992,992,992,992,992,992,DB11120,Turpentine,DrugBank,drug,,DRUG_992
993,993,993,993,993,993,993,993,DB16226,Maralixibat,DrugBank,drug,CCCCC1(CCCC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]34CCN(CC3)CC4)C=C2)C=C1)N(C)C,DRUG_993
994,994,994,994,994,994,994,994,DB07182,(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid,DrugBank,drug,NC(N)=NC1=CC=CC(=C1)C(CP(O)(=O)CCCC1=CC=CC=C1)C(O)=O,DRUG_994
995,995,995,995,995,995,995,995,DB13952,Estradiol acetate,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H],DRUG_995
996,996,996,996,996,996,996,996,DB12601,Sonolisib,DrugBank,drug,COC[C@H]1OC(=O)\C(=C\N(CC=C)CC=C)C2=C(O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C,DRUG_996
997,997,997,997,997,997,997,997,DB07354,"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM",DrugBank,drug,COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1,DRUG_997
998,998,998,998,998,998,998,998,DB04577,1-(1-phenylcyclopentyl)methylamine,DrugBank,drug,NCC1(CCCC1)C1=CC=CC=C1,DRUG_998
999,999,999,999,999,999,999,999,DB13572,Emylcamate,DrugBank,drug,CCC(C)(CC)OC(N)=O,DRUG_999
1000,1000,1000,1000,1000,1000,1000,1000,DB01057,Echothiophate,DrugBank,drug,CCOP(=O)(OCC)SCC[N+](C)(C)C,DRUG_1000
1001,1001,1001,1001,1001,1001,1001,1001,DB12715,MSX-122,DrugBank,drug,C(NC1=NC=CC=N1)C1=CC=C(CNC2=NC=CC=N2)C=C1,DRUG_1001
1002,1002,1002,1002,1002,1002,1002,1002,DB06306,Onalespib,DrugBank,drug,CC(C)C1=CC(C(=O)N2CC3=CC=C(CN4CCN(C)CC4)C=C3C2)=C(O)C=C1O,DRUG_1002
1003,1003,1003,1003,1003,1003,1003,1003,DB03124,5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid,DrugBank,drug,[H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O,DRUG_1003
1004,1004,1004,1004,1004,1004,1004,1004,DB16740,Prolgolimab,DrugBank,drug,,DRUG_1004
1005,1005,1005,1005,1005,1005,1005,1005,DB06622,7-beta-Hydroxyepiandrosterone,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@@]2([H])C[C@@H](O)CC[C@]12C,DRUG_1005
1006,1006,1006,1006,1006,1006,1006,1006,DB08078,{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid,DrugBank,drug,CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O,DRUG_1006
1007,1007,1007,1007,1007,1007,1007,1007,DB13029,MK-0873,DrugBank,drug,[O-][N+]1=CC(=CC=C1)C#CC1=CC(=CC=C1)N1C=C(C(=O)NC2CC2)C(=O)C2=CC=CN=C12,DRUG_1007
1008,1008,1008,1008,1008,1008,1008,1008,DB00959,Methylprednisolone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,DRUG_1008
1009,1009,1009,1009,1009,1009,1009,1009,DB00514,Dextromethorphan,DrugBank,drug,[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2,DRUG_1009
1010,1010,1010,1010,1010,1010,1010,1010,DB08536,"3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine",DrugBank,drug,BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1,DRUG_1010
1011,1011,1011,1011,1011,1011,1011,1011,DB07982,2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol,DrugBank,drug,CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1,DRUG_1011
1012,1012,1012,1012,1012,1012,1012,1012,DB08032,"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",DrugBank,drug,CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2,DRUG_1012
1013,1013,1013,1013,1013,1013,1013,1013,DB19027,Arterolane,DrugBank,drug,CC(C)(N)CNC(=O)C[C@H]1CC[C@@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3,DRUG_1013
1014,1014,1014,1014,1014,1014,1014,1014,DB13261,Sitafloxacin,DrugBank,drug,O.O.O.N[C@@H]1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN([C@@H]3C[C@@H]3F)C2=C1Cl)C(O)=O.N[C@@H]1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN([C@@H]3C[C@@H]3F)C2=C1Cl)C(O)=O,DRUG_1014
1015,1015,1015,1015,1015,1015,1015,1015,DB06116,Eldelumab,DrugBank,drug,,DRUG_1015
1016,1016,1016,1016,1016,1016,1016,1016,DB05819,NBI-6024,DrugBank,drug,,DRUG_1016
1017,1017,1017,1017,1017,1017,1017,1017,DB14514,Magnesium levulinate,DrugBank,drug,[Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,DRUG_1017
1018,1018,1018,1018,1018,1018,1018,1018,DB05233,AP1081,DrugBank,drug,,DRUG_1018
1019,1019,1019,1019,1019,1019,1019,1019,DB14620,Influenza A virus A/Brisbane/59/2007(H1N1) antigen (propiolactone inactivated),DrugBank,drug,,DRUG_1019
1020,1020,1020,1020,1020,1020,1020,1020,DB04140,1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide,DrugBank,drug,[H][C@@]1(CC(=O)N(CC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,DRUG_1020
1021,1021,1021,1021,1021,1021,1021,1021,DB13909,Bismuth subgallate,DrugBank,drug,O[Bi]1OC2=CC(=CC(O)=C2O1)C(O)=O,DRUG_1021
1022,1022,1022,1022,1022,1022,1022,1022,DB00856,Chlorphenesin,DrugBank,drug,OCC(O)COC1=CC=C(Cl)C=C1,DRUG_1022
1023,1023,1023,1023,1023,1023,1023,1023,DB00339,Pyrazinamide,DrugBank,drug,NC(=O)C1=NC=CN=C1,DRUG_1023
1024,1024,1024,1024,1024,1024,1024,1024,DB13405,Mefruside,DrugBank,drug,CN(CC1(C)CCCO1)S(=O)(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,DRUG_1024
1025,1025,1025,1025,1025,1025,1025,1025,DB05389,Tetrachlorodecaoxide,DrugBank,drug,O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O,DRUG_1025
1026,1026,1026,1026,1026,1026,1026,1026,DB09218,Clonixin,DrugBank,drug,CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1Cl,DRUG_1026
1027,1027,1027,1027,1027,1027,1027,1027,DB00179,Masoprocol,DrugBank,drug,C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1,DRUG_1027
1028,1028,1028,1028,1028,1028,1028,1028,DB06804,Nonoxynol-9,DrugBank,drug,CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,DRUG_1028
1029,1029,1029,1029,1029,1029,1029,1029,DB02869,3-amino-5-phenylpentane,DrugBank,drug,[H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1,DRUG_1029
1030,1030,1030,1030,1030,1030,1030,1030,DB01255,Lisdexamfetamine,DrugBank,drug,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN,DRUG_1030
1031,1031,1031,1031,1031,1031,1031,1031,DB05197,Sofalcone,DrugBank,drug,CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=C(OCC(O)=O)C=C(OCC=C(C)C)C=C2)C=C1,DRUG_1031
1032,1032,1032,1032,1032,1032,1032,1032,DB00853,Temozolomide,DrugBank,drug,CN1N=NC2=C(N=CN2C1=O)C(N)=O,DRUG_1032
1033,1033,1033,1033,1033,1033,1033,1033,DB08880,Teriflunomide,DrugBank,drug,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,DRUG_1033
1034,1034,1034,1034,1034,1034,1034,1034,DB03866,Prostaglandin G2,DrugBank,drug,[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O,DRUG_1034
1035,1035,1035,1035,1035,1035,1035,1035,DB04530,"S,S-(2-Hydroxyethyl)Thiocysteine",DrugBank,drug,N[C@@H](CSSCCO)C(O)=O,DRUG_1035
1036,1036,1036,1036,1036,1036,1036,1036,DB12462,Ralinepag,DrugBank,drug,OC(=O)COC[C@H]1CC[C@H](COC(=O)N(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1,DRUG_1036
1037,1037,1037,1037,1037,1037,1037,1037,DB11419,Haloxon,DrugBank,drug,CC1=C(Cl)C(=O)OC2=C1C=CC(OP(=O)(OCCCl)OCCCl)=C2,DRUG_1037
1038,1038,1038,1038,1038,1038,1038,1038,DB08900,Teduglutide,DrugBank,drug,,DRUG_1038
1039,1039,1039,1039,1039,1039,1039,1039,DB11584,Pipradrol,DrugBank,drug,[H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1039
1040,1040,1040,1040,1040,1040,1040,1040,DB07242,"(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",DrugBank,drug,[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1,DRUG_1040
1041,1041,1041,1041,1041,1041,1041,1041,DB12056,Trebananib,DrugBank,drug,,DRUG_1041
1042,1042,1042,1042,1042,1042,1042,1042,DB08287,"(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide",DrugBank,drug,[H][C@@]1(CS(=O)(=O)C2=CC=C(OC)C=C2)CCCC[C@@]1([H])C(=O)NCCN,DRUG_1042
1043,1043,1043,1043,1043,1043,1043,1043,DB12701,Intetumumab,DrugBank,drug,,DRUG_1043
1044,1044,1044,1044,1044,1044,1044,1044,DB04446,Benzo[B]Thiophene-2-Carboxamidine,DrugBank,drug,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2,DRUG_1044
1045,1045,1045,1045,1045,1045,1045,1045,DB05555,Enokizumab,DrugBank,drug,,DRUG_1045
1046,1046,1046,1046,1046,1046,1046,1046,DB09019,Bromhexine,DrugBank,drug,CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1,DRUG_1046
1047,1047,1047,1047,1047,1047,1047,1047,DB02354,4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine,DrugBank,drug,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(CN1C(C)=NC3=C1C=CC=C3)=C2,DRUG_1047
1048,1048,1048,1048,1048,1048,1048,1048,DB05933,MK-4721,DrugBank,drug,,DRUG_1048
1049,1049,1049,1049,1049,1049,1049,1049,DB11148,Butamben,DrugBank,drug,CCCCOC(=O)C1=CC=C(N)C=C1,DRUG_1049
1050,1050,1050,1050,1050,1050,1050,1050,DB03566,Spermidine,DrugBank,drug,NCCCCNCCCN,DRUG_1050
1051,1051,1051,1051,1051,1051,1051,1051,DB12301,Doravirine,DrugBank,drug,CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(=CC(Cl)=C2)C#N)C1=O)C(F)(F)F,DRUG_1051
1052,1052,1052,1052,1052,1052,1052,1052,DB11526,Masitinib,DrugBank,drug,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC(=CS3)C3=CN=CC=C3)=C2)CC1,DRUG_1052
1053,1053,1053,1053,1053,1053,1053,1053,DB05864,PPI-2458,DrugBank,drug,[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C,DRUG_1053
1054,1054,1054,1054,1054,1054,1054,1054,DB00839,Tolazamide,DrugBank,drug,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,DRUG_1054
1055,1055,1055,1055,1055,1055,1055,1055,DB01960,"7-methyl-7,8-dihydroguanosine-5'-diphosphate",DrugBank,drug,CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,DRUG_1055
1056,1056,1056,1056,1056,1056,1056,1056,DB08148,"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",DrugBank,drug,NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1,DRUG_1056
1057,1057,1057,1057,1057,1057,1057,1057,DB05460,Ezatiostat,DrugBank,drug,CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1,DRUG_1057
1058,1058,1058,1058,1058,1058,1058,1058,DB07617,N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,DrugBank,drug,CNCC1=CC=C(O1)C1=CC=CN=C1,DRUG_1058
1059,1059,1059,1059,1059,1059,1059,1059,DB01493,Ethylestrenol,DrugBank,drug,[H][C@@]12CC[C@@](O)(CC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],DRUG_1059
1060,1060,1060,1060,1060,1060,1060,1060,DB08519,"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",DrugBank,drug,COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC,DRUG_1060
1061,1061,1061,1061,1061,1061,1061,1061,DB03619,Deoxycholic acid,DrugBank,drug,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,DRUG_1061
1062,1062,1062,1062,1062,1062,1062,1062,DB12110,m-Chlorophenylpiperazine,DrugBank,drug,ClC1=CC=CC(=C1)N1CCNCC1,DRUG_1062
1063,1063,1063,1063,1063,1063,1063,1063,DB12526,Batefenterol,DrugBank,drug,COC1=CC(NC(=O)CCN2CCC(CC2)OC(=O)NC2=CC=CC=C2C2=CC=CC=C2)=C(Cl)C=C1CNC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,DRUG_1063
1064,1064,1064,1064,1064,1064,1064,1064,DB00241,Butalbital,DrugBank,drug,CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,DRUG_1064
1065,1065,1065,1065,1065,1065,1065,1065,DB06809,Plerixafor,DrugBank,drug,C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1,DRUG_1065
1066,1066,1066,1066,1066,1066,1066,1066,DB03471,6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid,DrugBank,drug,[H]N([C@@H](CCC(O)=O)CCC1=CC=CC=C1)C(=O)CCCCCCC1=CC=CC=C1,DRUG_1066
1067,1067,1067,1067,1067,1067,1067,1067,DB01590,Everolimus,DrugBank,drug,[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC,DRUG_1067
1068,1068,1068,1068,1068,1068,1068,1068,DB00527,Cinchocaine,DrugBank,drug,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,DRUG_1068
1069,1069,1069,1069,1069,1069,1069,1069,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",DrugBank,drug,CC1N[C@@H](N)CCC1CNCCN1C(O)C(NCC(F)(F)C2=CC=CC=N2)=NC=C1Cl,DRUG_1069
1070,1070,1070,1070,1070,1070,1070,1070,DB08424,"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE",DrugBank,drug,[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1,DRUG_1070
1071,1071,1071,1071,1071,1071,1071,1071,DB13027,Tucaresol,DrugBank,drug,OC(=O)C1=CC=C(COC2=CC=CC(O)=C2C=O)C=C1,DRUG_1071
1072,1072,1072,1072,1072,1072,1072,1072,DB04473,alpha-L-fucose,DrugBank,drug,C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_1072
1073,1073,1073,1073,1073,1073,1073,1073,DB11741,Famitinib,DrugBank,drug,CCN(CC)CCN1CCC2=C(C(C)=C(N2)\C=C2/C(=O)NC3=CC=C(F)C=C23)C1=O,DRUG_1073
1074,1074,1074,1074,1074,1074,1074,1074,DB00456,Cefalotin,DrugBank,drug,[H][C@@]1(NC(=O)CC2=CC=CS2)C(=O)N2C(C(O)=O)=C(COC(C)=O)CS[C@]12[H],DRUG_1074
1075,1075,1075,1075,1075,1075,1075,1075,DB14879,Cefiderocol,DrugBank,drug,[H][C@]12SCC(C[N+]3(CCNC(=O)C4=C(Cl)C(O)=C(O)C=C4)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C([O-])=O,DRUG_1075
1076,1076,1076,1076,1076,1076,1076,1076,DB03262,"Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",DrugBank,drug,NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1,DRUG_1076
1077,1077,1077,1077,1077,1077,1077,1077,DB15226,Dasiglucagon,DrugBank,drug,,DRUG_1077
1078,1078,1078,1078,1078,1078,1078,1078,DB06623,Flupirtine,DrugBank,drug,CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1,DRUG_1078
1079,1079,1079,1079,1079,1079,1079,1079,DB07458,"3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione",DrugBank,drug,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@@H]2CCCN2C)C2=CC=CC=C12,DRUG_1079
1080,1080,1080,1080,1080,1080,1080,1080,DB00180,Flunisolide,DrugBank,drug,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,DRUG_1080
1081,1081,1081,1081,1081,1081,1081,1081,DB02134,Xanthine,DrugBank,drug,O=C1NC2=C(NC=N2)C(=O)N1,DRUG_1081
1082,1082,1082,1082,1082,1082,1082,1082,DB09352,Hydroxyamphetamine,DrugBank,drug,CC(N)CC1=CC=C(O)C=C1,DRUG_1082
1083,1083,1083,1083,1083,1083,1083,1083,DB07449,N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide,DrugBank,drug,C\C(N)=N/CCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O,DRUG_1083
1084,1084,1084,1084,1084,1084,1084,1084,DB07176,1-Naphthylamine-5-sulfonic acid,DrugBank,drug,NC1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O,DRUG_1084
1085,1085,1085,1085,1085,1085,1085,1085,DB11679,Fruquintinib,DrugBank,drug,CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12,DRUG_1085
1086,1086,1086,1086,1086,1086,1086,1086,DB12442,Alvespimycin,DrugBank,drug,CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,DRUG_1086
1087,1087,1087,1087,1087,1087,1087,1087,DB08259,7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID,DrugBank,drug,OC(=O)CCCCCCNC(=O)NC1CCCCC1,DRUG_1087
1088,1088,1088,1088,1088,1088,1088,1088,DB04863,Lefradafiban,DrugBank,drug,[H][C@@]1(COC2=CC=C(C=C2)C2=CC=C(C=C2)C(=N)NC(=O)OC)C[C@@H](CC(=O)OC)C(=O)N1,DRUG_1088
1089,1089,1089,1089,1089,1089,1089,1089,DB00257,Clotrimazole,DrugBank,drug,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1089
1090,1090,1090,1090,1090,1090,1090,1090,DB06056,POT-4,DrugBank,drug,,DRUG_1090
1091,1091,1091,1091,1091,1091,1091,1091,DB03515,Equilenin,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=C1C=CC(O)=C2,DRUG_1091
1092,1092,1092,1092,1092,1092,1092,1092,DB16738,Ciltacabtagene autoleucel,DrugBank,drug,,DRUG_1092
1093,1093,1093,1093,1093,1093,1093,1093,DB00533,Rofecoxib,DrugBank,drug,CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1,DRUG_1093
1094,1094,1094,1094,1094,1094,1094,1094,DB07522,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE",DrugBank,drug,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1,DRUG_1094
1095,1095,1095,1095,1095,1095,1095,1095,DB01220,Rifaximin,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=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)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O,DRUG_1095
1096,1096,1096,1096,1096,1096,1096,1096,DB01041,Thalidomide,DrugBank,drug,O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12,DRUG_1096
1097,1097,1097,1097,1097,1097,1097,1097,DB01683,Chymostatin,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCNC(=N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O,DRUG_1097
1098,1098,1098,1098,1098,1098,1098,1098,DB14449,Influenza A virus A/Perth/16/2009 (H3N2) live (attenuated) antigen,DrugBank,drug,,DRUG_1098
1099,1099,1099,1099,1099,1099,1099,1099,DB03101,Ribose-1-Phosphate,DrugBank,drug,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,DRUG_1099
1100,1100,1100,1100,1100,1100,1100,1100,DB02056,Prostaglandin D2,DrugBank,drug,[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O,DRUG_1100
1101,1101,1101,1101,1101,1101,1101,1101,DB02395,"3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol",DrugBank,drug,CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O,DRUG_1101
1102,1102,1102,1102,1102,1102,1102,1102,DB12920,Pinometostat,DrugBank,drug,[H][C@]1(CCC2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C[C@]([H])(C1)N(C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)C,DRUG_1102
1103,1103,1103,1103,1103,1103,1103,1103,DB04638,"2,5-di-tert-butylhydroquinone",DrugBank,drug,CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C,DRUG_1103
1104,1104,1104,1104,1104,1104,1104,1104,DB13012,AQX-1125,DrugBank,drug,C[C@]12CC[C@@H]([C@@H](CN)[C@@H]1CCC2=C)[C@@]1(C)CC[C@H](O)C[C@@H]1CO,DRUG_1104
1105,1105,1105,1105,1105,1105,1105,1105,DB04144,"Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone",DrugBank,drug,[H][C@]1(N=C(N(C(=O)N2CCNCC2)[C@]1([H])C1=CC=C(Cl)C=C1)C1=C(OC(C)C)C=C(OC)C=C1)C1=CC=C(Cl)C=C1,DRUG_1105
1106,1106,1106,1106,1106,1106,1106,1106,DB00282,Pamidronic acid,DrugBank,drug,NCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_1106
1107,1107,1107,1107,1107,1107,1107,1107,DB00321,Amitriptyline,DrugBank,drug,CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_1107
1108,1108,1108,1108,1108,1108,1108,1108,DB13931,Netarsudil,DrugBank,drug,CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1,DRUG_1108
1109,1109,1109,1109,1109,1109,1109,1109,DB03918,"6S-5,6,7,8-Tetrahydrobiopterin",DrugBank,drug,[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@H](O)[C@@H](C)O,DRUG_1109
1110,1110,1110,1110,1110,1110,1110,1110,DB04900,Thymalfasin,DrugBank,drug,,DRUG_1110
1111,1111,1111,1111,1111,1111,1111,1111,DB13339,Etoglucid,DrugBank,drug,C(COCCOCC1CO1)OCCOCC1CO1,DRUG_1111
1112,1112,1112,1112,1112,1112,1112,1112,DB06198,Alovudine,DrugBank,drug,CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O,DRUG_1112
1113,1113,1113,1113,1113,1113,1113,1113,DB12747,Tertomotide,DrugBank,drug,,DRUG_1113
1114,1114,1114,1114,1114,1114,1114,1114,DB16274,Osoresnontrine,DrugBank,drug,O=C1NC(CC2=NC=CC=C2)=NC2=C1C=NN2C1CCOCC1,DRUG_1114
1115,1115,1115,1115,1115,1115,1115,1115,DB16744,CP-96345,DrugBank,drug,,DRUG_1115
1116,1116,1116,1116,1116,1116,1116,1116,DB03107,beta-Alanine,DrugBank,drug,NCCC(O)=O,DRUG_1116
1117,1117,1117,1117,1117,1117,1117,1117,DB15270,Efgartigimod alfa,DrugBank,drug,,DRUG_1117
1118,1118,1118,1118,1118,1118,1118,1118,DB13422,Nicofuranose,DrugBank,drug,[H][C@]1(COC(=O)C2=CN=CC=C2)O[C@](O)(COC(=O)C2=CN=CC=C2)[C@@]([H])(OC(=O)C2=CN=CC=C2)[C@]1([H])OC(=O)C1=CN=CC=C1,DRUG_1118
1119,1119,1119,1119,1119,1119,1119,1119,DB04531,S-Benzylcysteine,DrugBank,drug,N[C@@H](CSCC1=CC=CC=C1)C(O)=O,DRUG_1119
1120,1120,1120,1120,1120,1120,1120,1120,DB04418,Adenylosuccinic acid,DrugBank,drug,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,DRUG_1120
1121,1121,1121,1121,1121,1121,1121,1121,DB13868,Adefovir,DrugBank,drug,NC1=C2N=CN(CCOCP(O)(O)=O)C2=NC=N1,DRUG_1121
1122,1122,1122,1122,1122,1122,1122,1122,DB05042,SGS518,DrugBank,drug,,DRUG_1122
1123,1123,1123,1123,1123,1123,1123,1123,DB07843,5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,DrugBank,drug,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,DRUG_1123
1124,1124,1124,1124,1124,1124,1124,1124,DB01459,Bezitramide,DrugBank,drug,CCC(=O)N1C(=O)N(C2CCN(CCC(C#N)(C3=CC=CC=C3)C3=CC=CC=C3)CC2)C2=CC=CC=C12,DRUG_1124
1125,1125,1125,1125,1125,1125,1125,1125,DB07317,(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one,DrugBank,drug,O=C1OCC\C1=C/NC1=CC=CC=C1,DRUG_1125
1126,1126,1126,1126,1126,1126,1126,1126,DB09370,Sodium phosphate P 32,DrugBank,drug,[Na+].[Na+].O[32P]([O-])([O-])=O,DRUG_1126
1127,1127,1127,1127,1127,1127,1127,1127,DB13182,Daidzein,DrugBank,drug,OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,DRUG_1127
1128,1128,1128,1128,1128,1128,1128,1128,DB03008,5-fluoro-beta-L-gulosyl fluoride,DrugBank,drug,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F,DRUG_1128
1129,1129,1129,1129,1129,1129,1129,1129,DB14889,Derazantinib,DrugBank,drug,COCCNCCC1=CC(NC2=NC=C3C[C@@H](C4=CC=CC=C4F)C4=CC=CC=C4C3=N2)=CC=C1,DRUG_1129
1130,1130,1130,1130,1130,1130,1130,1130,DB15978,Parathiazine,DrugBank,drug,C(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N1CCCC1,DRUG_1130
1131,1131,1131,1131,1131,1131,1131,1131,DB18804,Tepilamide fumarate,DrugBank,drug,CCN(CC)C(=O)COC(=O)\C=C\C(=O)OC,DRUG_1131
1132,1132,1132,1132,1132,1132,1132,1132,DB01497,Etorphine,DrugBank,drug,[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3,DRUG_1132
1133,1133,1133,1133,1133,1133,1133,1133,DB11421,Imidacloprid,DrugBank,drug,[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1,DRUG_1133
1134,1134,1134,1134,1134,1134,1134,1134,DB02426,Carboxyatractyloside,DrugBank,drug,CC(C)CC(=O)O[C@H]1[C@@H](O[C@@H]2C[C@]3(C)[C@H]4CC[C@@H]5C[C@@]4(CC[C@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@@H](COO)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O,DRUG_1134
1135,1135,1135,1135,1135,1135,1135,1135,DB03736,2-Cyclopropylmethylenepropanal,DrugBank,drug,[H][C@](C)(CC1CC1)C=O,DRUG_1135
1136,1136,1136,1136,1136,1136,1136,1136,DB12382,R-306465,DrugBank,drug,ONC(=O)C1=CN=C(N=C1)N1CCN(CC1)S(=O)(=O)C1=CC2=CC=CC=C2C=C1,DRUG_1136
1137,1137,1137,1137,1137,1137,1137,1137,DB05130,INCB3284,DrugBank,drug,,DRUG_1137
1138,1138,1138,1138,1138,1138,1138,1138,DB16417,Geptanolimab,DrugBank,drug,,DRUG_1138
1139,1139,1139,1139,1139,1139,1139,1139,DB04632,4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE,DrugBank,drug,OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1,DRUG_1139
1140,1140,1140,1140,1140,1140,1140,1140,DB05431,MLN-977,DrugBank,drug,NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COC2=CC=C(F)C=C2)O1,DRUG_1140
1141,1141,1141,1141,1141,1141,1141,1141,DB04397,Alpha-D-Glucose-1-Phosphate-6-Vanadate,DrugBank,drug,O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O,DRUG_1141
1142,1142,1142,1142,1142,1142,1142,1142,DB06190,Solabegron,DrugBank,drug,[H][C@](O)(CNCCNC1=CC(=CC=C1)C1=CC(=CC=C1)C(O)=O)C1=CC=CC(Cl)=C1,DRUG_1142
1143,1143,1143,1143,1143,1143,1143,1143,DB15097,Gefapixant,DrugBank,drug,COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O,DRUG_1143
1144,1144,1144,1144,1144,1144,1144,1144,DB03283,beta-L-fucose,DrugBank,drug,C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_1144
1145,1145,1145,1145,1145,1145,1145,1145,DB03216,"(1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine",DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O,DRUG_1145
1146,1146,1146,1146,1146,1146,1146,1146,DB01832,4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid,DrugBank,drug,C[P@@](O)(=O)CC(=O)CC(O)=O,DRUG_1146
1147,1147,1147,1147,1147,1147,1147,1147,DB00999,Hydrochlorothiazide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1,DRUG_1147
1148,1148,1148,1148,1148,1148,1148,1148,DB00922,Levosimendan,DrugBank,drug,C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,DRUG_1148
1149,1149,1149,1149,1149,1149,1149,1149,DB13856,Fluclorolone,DrugBank,drug,C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,DRUG_1149
1150,1150,1150,1150,1150,1150,1150,1150,DB05150,CAD106,DrugBank,drug,,DRUG_1150
1151,1151,1151,1151,1151,1151,1151,1151,DB00206,Reserpine,DrugBank,drug,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,DRUG_1151
1152,1152,1152,1152,1152,1152,1152,1152,DB04739,4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE,DrugBank,drug,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)CC1,DRUG_1152
1153,1153,1153,1153,1153,1153,1153,1153,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",DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@@]([H])(CCCC1C(O)=N[C@]([H])(N)N[C@]1([H])N)C(O)(O)C(F)(F)F)C(O)=O,DRUG_1153
1154,1154,1154,1154,1154,1154,1154,1154,DB00330,Ethambutol,DrugBank,drug,CC[C@@H](CO)NCCN[C@@H](CC)CO,DRUG_1154
1155,1155,1155,1155,1155,1155,1155,1155,DB00917,Dinoprostone,DrugBank,drug,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_1155
1156,1156,1156,1156,1156,1156,1156,1156,DB11958,Brivanib,DrugBank,drug,C[C@@H](O)COC1=CN2N=CN=C(OC3=CC=C4NC(C)=CC4=C3F)C2=C1C,DRUG_1156
1157,1157,1157,1157,1157,1157,1157,1157,DB16300,Praliciguat,DrugBank,drug,OC(CNC1=NC(=NC=C1F)C1=NN(CC2=C(F)C=CC=C2)C(=C1)C1=NOC=C1)(C(F)(F)F)C(F)(F)F,DRUG_1157
1158,1158,1158,1158,1158,1158,1158,1158,DB08647,Trazeolide,DrugBank,drug,[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C,DRUG_1158
1159,1159,1159,1159,1159,1159,1159,1159,DB11496,2-mercaptobenzothiazole,DrugBank,drug,S=C1NC2=C(S1)C=CC=C2,DRUG_1159
1160,1160,1160,1160,1160,1160,1160,1160,DB07633,octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside,DrugBank,drug,[H][C@@]1(O)C[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(OCCCCCCCC)O[C@]1([H])CO,DRUG_1160
1161,1161,1161,1161,1161,1161,1161,1161,DB04325,Phenethylamine,DrugBank,drug,NCCC1=CC=CC=C1,DRUG_1161
1162,1162,1162,1162,1162,1162,1162,1162,DB03214,Vinylglycine,DrugBank,drug,N[C@@H](C=C)C(O)=O,DRUG_1162
1163,1163,1163,1163,1163,1163,1163,1163,DB01301,Rolitetracycline,DrugBank,drug,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C,DRUG_1163
1164,1164,1164,1164,1164,1164,1164,1164,DB00940,Methantheline,DrugBank,drug,CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12,DRUG_1164
1165,1165,1165,1165,1165,1165,1165,1165,DB12884,Lavoltidine,DrugBank,drug,CN1N=C(CO)N=C1NCCCOC1=CC=CC(CN2CCCCC2)=C1,DRUG_1165
1166,1166,1166,1166,1166,1166,1166,1166,DB05404,AZD 3355,DrugBank,drug,,DRUG_1166
1167,1167,1167,1167,1167,1167,1167,1167,DB06731,Seproxetine,DrugBank,drug,NCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,DRUG_1167
1168,1168,1168,1168,1168,1168,1168,1168,DB08038,"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide",DrugBank,drug,[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O,DRUG_1168
1169,1169,1169,1169,1169,1169,1169,1169,DB06317,Elotuzumab,DrugBank,drug,,DRUG_1169
1170,1170,1170,1170,1170,1170,1170,1170,DB07258,(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol,DrugBank,drug,[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1,DRUG_1170
1171,1171,1171,1171,1171,1171,1171,1171,DB01264,Darunavir,DrugBank,drug,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_1171
1172,1172,1172,1172,1172,1172,1172,1172,DB11094,Vitamin D,DrugBank,drug,,DRUG_1172
1173,1173,1173,1173,1173,1173,1173,1173,DB05631,ALT-2074,DrugBank,drug,CC1(C)CN[Se]C2=CC=CC=C12,DRUG_1173
1174,1174,1174,1174,1174,1174,1174,1174,DB00491,Miglitol,DrugBank,drug,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,DRUG_1174
1175,1175,1175,1175,1175,1175,1175,1175,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",DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](\C=C\CN([H])C(=O)C4=C(O)C(O)=CC(=C4)[N+]([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_1175
1176,1176,1176,1176,1176,1176,1176,1176,DB01966,Di-Stearoyl-3-Sn-Phosphatidylethanolamine,DrugBank,drug,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,DRUG_1176
1177,1177,1177,1177,1177,1177,1177,1177,DB14126,Tenofovir,DrugBank,drug,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O,DRUG_1177
1178,1178,1178,1178,1178,1178,1178,1178,DB11979,Elagolix,DrugBank,drug,COC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O,DRUG_1178
1179,1179,1179,1179,1179,1179,1179,1179,DB12866,Pradigastat,DrugBank,drug,OC(=O)C[C@H]1CC[C@@H](CC1)C1=CC=C(C=C1)C1=NC=C(NC2=CN=C(C=C2)C(F)(F)F)C=C1,DRUG_1179
1180,1180,1180,1180,1180,1180,1180,1180,DB15149,Futibatinib,DrugBank,drug,COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2,DRUG_1180
1181,1181,1181,1181,1181,1181,1181,1181,DB01065,Melatonin,DrugBank,drug,COC1=CC=C2NC=C(CCNC(C)=O)C2=C1,DRUG_1181
1182,1182,1182,1182,1182,1182,1182,1182,DB11744,Epetraborole,DrugBank,drug,NC[C@H]1OB(O)C2=C1C=CC=C2OCCCO,DRUG_1182
1183,1183,1183,1183,1183,1183,1183,1183,DB00753,Isoflurane,DrugBank,drug,FC(F)OC(Cl)C(F)(F)F,DRUG_1183
1184,1184,1184,1184,1184,1184,1184,1184,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",DrugBank,drug,[H][C@]1(F)CN(CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,DRUG_1184
1185,1185,1185,1185,1185,1185,1185,1185,DB00887,Bumetanide,DrugBank,drug,CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O,DRUG_1185
1186,1186,1186,1186,1186,1186,1186,1186,DB00479,Amikacin,DrugBank,drug,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,DRUG_1186
1187,1187,1187,1187,1187,1187,1187,1187,DB05440,SRP 299,DrugBank,drug,,DRUG_1187
1188,1188,1188,1188,1188,1188,1188,1188,DB14493,Zinc glycinate,DrugBank,drug,[Zn++].[H]N([H])CC([O-])=O.[H]N([H])CC([O-])=O,DRUG_1188
1189,1189,1189,1189,1189,1189,1189,1189,DB14774,Balipodect,DrugBank,drug,COC1=CN(N=C(C2=CC=NN2C2=CC=CC=C2)C1=O)C1=CC=C(C=C1F)N1C=CC=N1,DRUG_1189
1190,1190,1190,1190,1190,1190,1190,1190,DB13739,Penamecillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@]([H])(N1C(=O)[C@@]2([H])NC(=O)CC1=CC=CC=C1)C(=O)OCOC(C)=O,DRUG_1190
1191,1191,1191,1191,1191,1191,1191,1191,DB14511,Acetate,DrugBank,drug,CC([O-])=O,DRUG_1191
1192,1192,1192,1192,1192,1192,1192,1192,DB03680,Tartronate,DrugBank,drug,OC(C([O-])=O)C([O-])=O,DRUG_1192
1193,1193,1193,1193,1193,1193,1193,1193,DB13103,Camsirubicin,DrugBank,drug,COC1=C2C(=N)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(=O)CO)C(O)=C3C(=O)C2=CC=C1,DRUG_1193
1194,1194,1194,1194,1194,1194,1194,1194,DB05945,MDX-1303,DrugBank,drug,,DRUG_1194
1195,1195,1195,1195,1195,1195,1195,1195,DB00033,Interferon gamma-1b,DrugBank,drug,,DRUG_1195
1196,1196,1196,1196,1196,1196,1196,1196,DB06519,Edaglitazone,DrugBank,drug,CC1=C(CCOC2=C3C=CSC3=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1,DRUG_1196
1197,1197,1197,1197,1197,1197,1197,1197,DB03851,Carbazole Butanoic Acid,DrugBank,drug,OC(=O)CCCN1C2=CC=CC=C2C2=C1C=CC=C2,DRUG_1197
1198,1198,1198,1198,1198,1198,1198,1198,DB08561,"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE",DrugBank,drug,O=C(OCC1=CC=CC=C1)C1=CN2C(S1)=CC(=O)N(CC1=CC=CC=C1)C2=O,DRUG_1198
1199,1199,1199,1199,1199,1199,1199,1199,DB09050,Ceftolozane,DrugBank,drug,CN1C(N)=C(NC(=O)NCCN)C=[N+]1CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=NSC(N)=N1)C2=O)C([O-])=O,DRUG_1199
1200,1200,1200,1200,1200,1200,1200,1200,DB16255,Nidufexor,DrugBank,drug,CN1N=C(C(=O)N(CC2=CC=CC=C2)CC2=CC=C(C=C2)C(O)=O)C2=C1C1=C(OC2)C=CC(Cl)=C1,DRUG_1200
1201,1201,1201,1201,1201,1201,1201,1201,DB13846,Pyrrobutamine,DrugBank,drug,ClC1=CC=C(CC(=CCN2CCCC2)C2=CC=CC=C2)C=C1,DRUG_1201
1202,1202,1202,1202,1202,1202,1202,1202,DB11825,Mirogabalin,DrugBank,drug,CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1,DRUG_1202
1203,1203,1203,1203,1203,1203,1203,1203,DB06780,Desoxycorticosterone acetate,DrugBank,drug,[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_1203
1204,1204,1204,1204,1204,1204,1204,1204,DB12061,Pardoprunox,DrugBank,drug,CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1,DRUG_1204
1205,1205,1205,1205,1205,1205,1205,1205,DB00668,Epinephrine,DrugBank,drug,CNC[C@H](O)C1=CC(O)=C(O)C=C1,DRUG_1205
1206,1206,1206,1206,1206,1206,1206,1206,DB06490,ANA975,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C(=O)SC3=CNC(=N)N=C23)[C@]([H])(OC(C)=O)[C@]1([H])OC(C)=O,DRUG_1206
1207,1207,1207,1207,1207,1207,1207,1207,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",DrugBank,drug,[H][C@@]1(Cl)SC2=NC(=CC2=C1)C(=O)N[C@@]1([H])CC2=C(C=CC=C2)N(CC(N)=O)C1=O,DRUG_1207
1208,1208,1208,1208,1208,1208,1208,1208,DB13955,Estradiol dienanthate,DrugBank,drug,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C,DRUG_1208
1209,1209,1209,1209,1209,1209,1209,1209,DB00233,Aminosalicylic acid,DrugBank,drug,NC1=CC(O)=C(C=C1)C(O)=O,DRUG_1209
1210,1210,1210,1210,1210,1210,1210,1210,DB01205,Flumazenil,DrugBank,drug,CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1,DRUG_1210
1211,1211,1211,1211,1211,1211,1211,1211,DB08583,"2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide",DrugBank,drug,CCN1N=CC=C1C1=CNC2=NC=C(C=C12)C1=CC(C(=O)N(C)C)=C(N)C=C1,DRUG_1211
1212,1212,1212,1212,1212,1212,1212,1212,DB13419,Troxipide,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(=O)NC1CCCNC1,DRUG_1212
1213,1213,1213,1213,1213,1213,1213,1213,DB02407,6-O-Cyclohexylmethyl Guanine,DrugBank,drug,NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1,DRUG_1213
1214,1214,1214,1214,1214,1214,1214,1214,DB18145,Aloxistatin,DrugBank,drug,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C,DRUG_1214
1215,1215,1215,1215,1215,1215,1215,1215,DB04286,beta-D-Ribopyranose,DrugBank,drug,O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,DRUG_1215
1216,1216,1216,1216,1216,1216,1216,1216,DB14577,Calcium cation,DrugBank,drug,[Ca++],DRUG_1216
1217,1217,1217,1217,1217,1217,1217,1217,DB00122,Choline,DrugBank,drug,C[N+](C)(C)CCO,DRUG_1217
1218,1218,1218,1218,1218,1218,1218,1218,DB11790,Radafaxine,DrugBank,drug,C[C@@H]1NC(C)(C)CO[C@@]1(O)C1=CC=CC(Cl)=C1,DRUG_1218
1219,1219,1219,1219,1219,1219,1219,1219,DB01370,Aluminium,DrugBank,drug,[Al],DRUG_1219
1220,1220,1220,1220,1220,1220,1220,1220,DB08651,3'-THIO-THYMIDINE-5'-PHOSPHATE,DrugBank,drug,[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O,DRUG_1220
1221,1221,1221,1221,1221,1221,1221,1221,DB06262,Droxidopa,DrugBank,drug,N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O,DRUG_1221
1222,1222,1222,1222,1222,1222,1222,1222,DB12070,Letermovir,DrugBank,drug,COC1=CC=CC(=C1)N1CCN(CC1)C1=NC2=C(C=CC=C2F)[C@H](CC(O)=O)N1C1=CC(=CC=C1OC)C(F)(F)F,DRUG_1222
1223,1223,1223,1223,1223,1223,1223,1223,DB03147,Flavin adenine dinucleotide,DrugBank,drug,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,DRUG_1223
1224,1224,1224,1224,1224,1224,1224,1224,DB15874,Agalsidase alfa,DrugBank,drug,,DRUG_1224
1225,1225,1225,1225,1225,1225,1225,1225,DB13052,Upamostat,DrugBank,drug,CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(\N)=N/O)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C,DRUG_1225
1226,1226,1226,1226,1226,1226,1226,1226,DB06753,Triclofos,DrugBank,drug,OP(O)(=O)OCC(Cl)(Cl)Cl,DRUG_1226
1227,1227,1227,1227,1227,1227,1227,1227,DB01321,Josamycin,DrugBank,drug,CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O,DRUG_1227
1228,1228,1228,1228,1228,1228,1228,1228,DB00805,Minaprine,DrugBank,drug,CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1,DRUG_1228
1229,1229,1229,1229,1229,1229,1229,1229,DB12080,Ritobegron,DrugBank,drug,C[C@H](NCCC1=C(C)C=C(OCC(O)=O)C(C)=C1)[C@H](O)C1=CC=C(O)C=C1,DRUG_1229
1230,1230,1230,1230,1230,1230,1230,1230,DB13770,Vinylbital,DrugBank,drug,CCCC(C)C1(C=C)C(=O)NC(=O)NC1=O,DRUG_1230
1231,1231,1231,1231,1231,1231,1231,1231,DB14642,Lypressin,DrugBank,drug,[H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O,DRUG_1231
1232,1232,1232,1232,1232,1232,1232,1232,DB00553,Methoxsalen,DrugBank,drug,COC1=C2OC(=O)C=CC2=CC2=C1OC=C2,DRUG_1232
1233,1233,1233,1233,1233,1233,1233,1233,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",DrugBank,drug,[O-][N+]1=CC=CC=C1C(F)(F)CNC1=NC=C(Cl)N(CC(=O)NCC2=C(F)C=CC=C2)C1=O,DRUG_1233
1234,1234,1234,1234,1234,1234,1234,1234,DB12509,Imeglimin,DrugBank,drug,C[C@@H]1NC(N)=NC(=N1)N(C)C,DRUG_1234
1235,1235,1235,1235,1235,1235,1235,1235,DB08100,"2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol",DrugBank,drug,CC1=CC(\C=C\C2=CC=CC=C2)=CC(C)=C1O,DRUG_1235
1236,1236,1236,1236,1236,1236,1236,1236,DB13757,Epanolol,DrugBank,drug,OC(CNCCNC(=O)CC1=CC=C(O)C=C1)COC1=CC=CC=C1C#N,DRUG_1236
1237,1237,1237,1237,1237,1237,1237,1237,DB01362,Iohexol,DrugBank,drug,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,DRUG_1237
1238,1238,1238,1238,1238,1238,1238,1238,DB12387,OSI-027,DrugBank,drug,COC1=C2NC(=CC2=CC=C1)C1=C2N(N=CN=C2N)C(=N1)[C@H]1CC[C@@H](CC1)C(O)=O,DRUG_1238
1239,1239,1239,1239,1239,1239,1239,1239,DB04090,RH-1,DrugBank,drug,CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O,DRUG_1239
1240,1240,1240,1240,1240,1240,1240,1240,DB03479,"8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",DrugBank,drug,CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DRUG_1240
1241,1241,1241,1241,1241,1241,1241,1241,DB12960,INCB-9471,DrugBank,drug,CCO[C@@H]1CC2=CC(=CC=C2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C(F)(F)F,DRUG_1241
1242,1242,1242,1242,1242,1242,1242,1242,DB06857,N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE,DrugBank,drug,CC1=CC(I)=C(O)C(=C1)C(=O)NC1=CC(Cl)=C(C=C1)C(N)=N,DRUG_1242
1243,1243,1243,1243,1243,1243,1243,1243,DB03962,Nicotinamide 8-bromo-adenine dinucleotide phosphate,DrugBank,drug,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C(Br)=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,DRUG_1243
1244,1244,1244,1244,1244,1244,1244,1244,DB11807,Dexmecamylamine,DrugBank,drug,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,DRUG_1244
1245,1245,1245,1245,1245,1245,1245,1245,DB00748,Carbinoxamine,DrugBank,drug,CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,DRUG_1245
1246,1246,1246,1246,1246,1246,1246,1246,DB12127,Sultamicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C,DRUG_1246
1247,1247,1247,1247,1247,1247,1247,1247,DB07695,"N-(3,5-dibromo-4-hydroxyphenyl)-4-hydroxy-3,5-dimethylbenzamide",DrugBank,drug,CC1=CC(=CC(C)=C1O)C(=O)NC1=CC(Br)=C(O)C(Br)=C1,DRUG_1247
1248,1248,1248,1248,1248,1248,1248,1248,DB02014,"5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid",DrugBank,drug,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1,DRUG_1248
1249,1249,1249,1249,1249,1249,1249,1249,DB05992,Plinabulin,DrugBank,drug,CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1,DRUG_1249
1250,1250,1250,1250,1250,1250,1250,1250,DB04048,N-Carbamoyl-Alanine,DrugBank,drug,C[C@@H](NC(N)=O)C(O)=O,DRUG_1250
1251,1251,1251,1251,1251,1251,1251,1251,DB05830,Trestolone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],DRUG_1251
1252,1252,1252,1252,1252,1252,1252,1252,DB01342,Forasartan,DrugBank,drug,CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1,DRUG_1252
1253,1253,1253,1253,1253,1253,1253,1253,DB03003,Glutathione sulfonic acid,DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS(O)(=O)=O)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_1253
1254,1254,1254,1254,1254,1254,1254,1254,DB06005,Adomiparin,DrugBank,drug,,DRUG_1254
1255,1255,1255,1255,1255,1255,1255,1255,DB13975,Black cohosh,DrugBank,drug,,DRUG_1255
1256,1256,1256,1256,1256,1256,1256,1256,DB09226,Brilaroxazine,DrugBank,drug,ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3OCC(=O)NC3=C2)CC1,DRUG_1256
1257,1257,1257,1257,1257,1257,1257,1257,DB07694,"2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide",DrugBank,drug,OC1=C(Br)C=C(NC(=O)C2=CC(Cl)=CC=C2Cl)C=C1Br,DRUG_1257
1258,1258,1258,1258,1258,1258,1258,1258,DB06393,Xaliproden,DrugBank,drug,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC3=CC=CC=C3C=C2)CC1,DRUG_1258
1259,1259,1259,1259,1259,1259,1259,1259,DB00638,Inulin,DrugBank,drug,,DRUG_1259
1260,1260,1260,1260,1260,1260,1260,1260,DB11713,Ruzasvir,DrugBank,drug,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C2N3[C@@H](OC4=C(C3=CC2=C1)C(F)=CC(=C4)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=CN=C(S1)C1CC1,DRUG_1260
1261,1261,1261,1261,1261,1261,1261,1261,DB05057,Erdosteine,DrugBank,drug,OC(=O)CSCC(=O)NC1CCSC1=O,DRUG_1261
1262,1262,1262,1262,1262,1262,1262,1262,DB12614,Reparixin,DrugBank,drug,CC(C)CC1=CC=C(C=C1)[C@@H](C)C(=O)NS(C)(=O)=O,DRUG_1262
1263,1263,1263,1263,1263,1263,1263,1263,DB12233,Iguratimod,DrugBank,drug,CS(=O)(=O)NC1=CC2=C(C=C1OC1=CC=CC=C1)C(=O)C(NC=O)=CO2,DRUG_1263
1264,1264,1264,1264,1264,1264,1264,1264,DB01228,Encainide,DrugBank,drug,COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,DRUG_1264
1265,1265,1265,1265,1265,1265,1265,1265,DB12523,Mizolastine,DrugBank,drug,CN(C1CCN(CC1)C1=NC2=C(C=CC=C2)N1CC1=CC=C(F)C=C1)C1=NC=CC(=O)N1,DRUG_1265
1266,1266,1266,1266,1266,1266,1266,1266,DB13743,Sodium aurotiosulfate,DrugBank,drug,O.O.[Na+].[Na+].[Na+].[Au+].[O-]S([S-])(=O)=O.[O-]S([S-])(=O)=O,DRUG_1266
1267,1267,1267,1267,1267,1267,1267,1267,DB11736,PF-00489791,DrugBank,drug,CCOCCN1N=C(C(=O)NS(C)(=O)=O)C2=NC(=NC(NC3=CC(C)=CC=N3)=C12)N(C)CC,DRUG_1267
1268,1268,1268,1268,1268,1268,1268,1268,DB13780,Aluminium clofibrate,DrugBank,drug,[OH-].[Al+3].CC(C)(OC1=CC=C(Cl)C=C1)C([O-])=O.CC(C)(OC1=CC=C(Cl)C=C1)C([O-])=O,DRUG_1268
1269,1269,1269,1269,1269,1269,1269,1269,DB07800,N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE,DrugBank,drug,ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1,DRUG_1269
1270,1270,1270,1270,1270,1270,1270,1270,DB08147,"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid",DrugBank,drug,OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1,DRUG_1270
1271,1271,1271,1271,1271,1271,1271,1271,DB02535,Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide,DrugBank,drug,NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_1271
1272,1272,1272,1272,1272,1272,1272,1272,DB14513,Magnesium,DrugBank,drug,[MgH2],DRUG_1272
1273,1273,1273,1273,1273,1273,1273,1273,DB06557,Lerdelimumab,DrugBank,drug,,DRUG_1273
1274,1274,1274,1274,1274,1274,1274,1274,DB14575,Eslicarbazepine,DrugBank,drug,NC(=O)N1C2=CC=CC=C2[C@@H](O)CC2=C1C=CC=C2,DRUG_1274
1275,1275,1275,1275,1275,1275,1275,1275,DB14713,Inotersen,DrugBank,drug,,DRUG_1275
1276,1276,1276,1276,1276,1276,1276,1276,DB05241,XL765,DrugBank,drug,,DRUG_1276
1277,1277,1277,1277,1277,1277,1277,1277,DB06897,"3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol",DrugBank,drug,[H][C@@](C)(NC1=CC2=C(ON=C2C2=CC(Cl)=CC(CCCO)=C2)C=N1)C1=CC=CC=C1,DRUG_1277
1278,1278,1278,1278,1278,1278,1278,1278,DB03393,Sanglifehrin A,DrugBank,drug,[H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C,DRUG_1278
1279,1279,1279,1279,1279,1279,1279,1279,DB07353,"4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL",DrugBank,drug,[H][C@](N)(O)CC[C@@]([H])(N)CC1=CC=C(O)C=C1,DRUG_1279
1280,1280,1280,1280,1280,1280,1280,1280,DB00436,Bendroflumethiazide,DrugBank,drug,NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F,DRUG_1280
1281,1281,1281,1281,1281,1281,1281,1281,DB04864,Huperzine A,DrugBank,drug,[H][C@@]12CC3=C(C=CC(=O)N3)[C@@](N)(CC(C)=C1)\C2=C\C,DRUG_1281
1282,1282,1282,1282,1282,1282,1282,1282,DB01805,Monoisopropylphosphorylserine,DrugBank,drug,[H][C@](N)(COP(O)(=O)OC(C)C)C(O)=O,DRUG_1282
1283,1283,1283,1283,1283,1283,1283,1283,DB01107,Methyprylon,DrugBank,drug,CCC1(CC)C(=O)NCC(C)C1=O,DRUG_1283
1284,1284,1284,1284,1284,1284,1284,1284,DB11345,(S)-camphor,DrugBank,drug,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,DRUG_1284
1285,1285,1285,1285,1285,1285,1285,1285,DB16684,Odronextamab,DrugBank,drug,,DRUG_1285
1286,1286,1286,1286,1286,1286,1286,1286,DB06853,N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CNC1CCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_1286
1287,1287,1287,1287,1287,1287,1287,1287,DB04327,Phosphatidylethanolamine,DrugBank,drug,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,DRUG_1287
1288,1288,1288,1288,1288,1288,1288,1288,DB03635,Ethanesulfonic acid,DrugBank,drug,CCS(O)(=O)=O,DRUG_1288
1289,1289,1289,1289,1289,1289,1289,1289,DB01199,Tubocurarine,DrugBank,drug,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3,DRUG_1289
1290,1290,1290,1290,1290,1290,1290,1290,DB08019,"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine",DrugBank,drug,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1,DRUG_1290
1291,1291,1291,1291,1291,1291,1291,1291,DB12053,Visilizumab,DrugBank,drug,,DRUG_1291
1292,1292,1292,1292,1292,1292,1292,1292,DB13601,Oxiracetam,DrugBank,drug,NC(=O)CN1CC(O)CC1=O,DRUG_1292
1293,1293,1293,1293,1293,1293,1293,1293,DB15643,N-(2-Aminoethyl)-1-aziridineethanamine,DrugBank,drug,NCCNCCN1CC1,DRUG_1293
1294,1294,1294,1294,1294,1294,1294,1294,DB12137,GSK-256066,DrugBank,drug,COC1=CC=CC(NC2=C(C=NC3=C(C)C=C(C=C23)S(=O)(=O)C2=CC(=CC=C2)C(=O)N(C)C)C(N)=O)=C1,DRUG_1294
1295,1295,1295,1295,1295,1295,1295,1295,DB03127,Benzamidine,DrugBank,drug,NC(=[NH2+])C1=CC=CC=C1,DRUG_1295
1296,1296,1296,1296,1296,1296,1296,1296,DB16123,Ceralifimod,DrugBank,drug,CCCC1=CC=C(COC2=CC3=C(C=C2)C(C)=C(CN2CC(C2)C(O)=O)CC3)C(OC)=C1,DRUG_1296
1297,1297,1297,1297,1297,1297,1297,1297,DB12542,GSK-356278,DrugBank,drug,CCN1N=CC2=C(NC3CCOCC3)C(=CN=C12)C1=NN=C(CC2=C(C)N=C(C)S2)O1,DRUG_1297
1298,1298,1298,1298,1298,1298,1298,1298,DB05739,CYT006-AngQb,DrugBank,drug,,DRUG_1298
1299,1299,1299,1299,1299,1299,1299,1299,DB08386,2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline,DrugBank,drug,C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1,DRUG_1299
1300,1300,1300,1300,1300,1300,1300,1300,DB06849,"1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine",DrugBank,drug,NCC1=CC2=C(OCC22CCN(CC2)C(=O)\C=C\C2=CC=CC=C2)C=C1,DRUG_1300
1301,1301,1301,1301,1301,1301,1301,1301,DB15534,Colchiceine,DrugBank,drug,COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C23)=C1,DRUG_1301
1302,1302,1302,1302,1302,1302,1302,1302,DB06989,{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID,DrugBank,drug,COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC,DRUG_1302
1303,1303,1303,1303,1303,1303,1303,1303,DB04374,"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole",DrugBank,drug,CCCCCC(CCCCC)SC1=C(N=NN1)C(O)=O,DRUG_1303
1304,1304,1304,1304,1304,1304,1304,1304,DB14810,AZD-1656,DrugBank,drug,COC[C@H](C)OC1=CC(=CC(OC2=NC=C(N=C2)C(=O)N2CCC2)=C1)C(=O)NC1=NC=C(C)N=C1,DRUG_1304
1305,1305,1305,1305,1305,1305,1305,1305,DB03964,4-Hydroxy-Aconitate Ion,DrugBank,drug,[H]\C(C([O-])=O)=C(/C([O-])=O)[C@@]([H])(O)C([O-])=O,DRUG_1305
1306,1306,1306,1306,1306,1306,1306,1306,DB08912,Dabrafenib,DrugBank,drug,CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1,DRUG_1306
1307,1307,1307,1307,1307,1307,1307,1307,DB01267,Paliperidone,DrugBank,drug,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1,DRUG_1307
1308,1308,1308,1308,1308,1308,1308,1308,DB13691,Acetyldigoxin,DrugBank,drug,C[C@H]1O[C@H](C[C@H](OC(C)=O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C,DRUG_1308
1309,1309,1309,1309,1309,1309,1309,1309,DB08335,"4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME",DrugBank,drug,CC(C)(C)CC(=O)O\N=C\C1=CC=C(O)C=C1,DRUG_1309
1310,1310,1310,1310,1310,1310,1310,1310,DB04616,TACRINE(8)-4-AMINOQUINOLINE,DrugBank,drug,C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12,DRUG_1310
1311,1311,1311,1311,1311,1311,1311,1311,DB04725,Licofelone,DrugBank,drug,CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_1311
1312,1312,1312,1312,1312,1312,1312,1312,DB04659,"(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE",DrugBank,drug,OC[C@H]1C[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_1312
1313,1313,1313,1313,1313,1313,1313,1313,DB06748,Ginsenoside C,DrugBank,drug,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,DRUG_1313
1314,1314,1314,1314,1314,1314,1314,1314,DB11809,Artefenomel,DrugBank,drug,C(CN1CCOCC1)OC1=CC=C(C=C1)[C@H]1CC[C@]2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3,DRUG_1314
1315,1315,1315,1315,1315,1315,1315,1315,DB08046,2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=CC(=C1)[C@@]1(O)NC(=O)C2=C1C=CC=C2,DRUG_1315
1316,1316,1316,1316,1316,1316,1316,1316,DB04213,N-Cyclohexyl-N'-(Propyl)Phenyl Urea,DrugBank,drug,O=C(NCCCC1=CC=CC=C1)NC1CCCCC1,DRUG_1316
1317,1317,1317,1317,1317,1317,1317,1317,DB05332,Romiplostim,DrugBank,drug,,DRUG_1317
1318,1318,1318,1318,1318,1318,1318,1318,DB01224,Quetiapine,DrugBank,drug,OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12,DRUG_1318
1319,1319,1319,1319,1319,1319,1319,1319,DB01249,Iodixanol,DrugBank,drug,CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,DRUG_1319
1320,1320,1320,1320,1320,1320,1320,1320,DB07402,Azapropazone,DrugBank,drug,[H][C@@]1(CC=C)C(=O)N2N(C1=O)C1=CC(C)=CC=C1N=C2N(C)C,DRUG_1320
1321,1321,1321,1321,1321,1321,1321,1321,DB01118,Amiodarone,DrugBank,drug,CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2,DRUG_1321
1322,1322,1322,1322,1322,1322,1322,1322,DB07147,"methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate",DrugBank,drug,[H][C@@]1(C[C@]1(CC1=CC=C(OCC2=CC(C)=NC3=C2C=CC=C3)C=C1)C(=O)OC)C(=O)NO,DRUG_1322
1323,1323,1323,1323,1323,1323,1323,1323,DB06236,Elvucitabine,DrugBank,drug,NC1=NC(=O)N(C=C1F)[C@H]1O[C@@H](CO)C=C1,DRUG_1323
1324,1324,1324,1324,1324,1324,1324,1324,DB07083,beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide,DrugBank,drug,[H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC,DRUG_1324
1325,1325,1325,1325,1325,1325,1325,1325,DB17725,Marstacimab,DrugBank,drug,,DRUG_1325
1326,1326,1326,1326,1326,1326,1326,1326,DB06527,Tramiprosate,DrugBank,drug,NCCCS(O)(=O)=O,DRUG_1326
1327,1327,1327,1327,1327,1327,1327,1327,DB03591,RU82209,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_1327
1328,1328,1328,1328,1328,1328,1328,1328,DB07164,"N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine",DrugBank,drug,C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1,DRUG_1328
1329,1329,1329,1329,1329,1329,1329,1329,DB04673,4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE,DrugBank,drug,[H][C@@]1(CC(C)C)CN(CCN1C(=O)C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,DRUG_1329
1330,1330,1330,1330,1330,1330,1330,1330,DB06862,2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID,DrugBank,drug,OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS,DRUG_1330
1331,1331,1331,1331,1331,1331,1331,1331,DB03553,Glutaric Acid,DrugBank,drug,OC(=O)CCCC(O)=O,DRUG_1331
1332,1332,1332,1332,1332,1332,1332,1332,DB12694,CE-326597,DrugBank,drug,CC(C)N(CC1=CC=CC=C1)C(=O)CN1C2=CC=CC=C2N2C(=NN=C2C2=CC=CC=C2)[C@H](CC2=CNC3=CC=CC=C23)C1=O,DRUG_1332
1333,1333,1333,1333,1333,1333,1333,1333,DB00535,Cefdinir,DrugBank,drug,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O,DRUG_1333
1334,1334,1334,1334,1334,1334,1334,1334,DB03042,5-Phosphoarabinonic Acid,DrugBank,drug,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O,DRUG_1334
1335,1335,1335,1335,1335,1335,1335,1335,DB06843,"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE",DrugBank,drug,[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_1335
1336,1336,1336,1336,1336,1336,1336,1336,DB06366,Pertuzumab,DrugBank,drug,,DRUG_1336
1337,1337,1337,1337,1337,1337,1337,1337,DB12086,Oxitropium,DrugBank,drug,CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_1337
1338,1338,1338,1338,1338,1338,1338,1338,DB06444,Dexanabinol,DrugBank,drug,CCCCCCC(C)(C)C1=CC(O)=C2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)OC2=C1,DRUG_1338
1339,1339,1339,1339,1339,1339,1339,1339,DB03136,4-Iodobenzo[B]Thiophene-2-Carboxamidine,DrugBank,drug,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2I,DRUG_1339
1340,1340,1340,1340,1340,1340,1340,1340,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",DrugBank,drug,NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1,DRUG_1340
1341,1341,1341,1341,1341,1341,1341,1341,DB08915,Aleglitazar,DrugBank,drug,CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O,DRUG_1341
1342,1342,1342,1342,1342,1342,1342,1342,DB00642,Pemetrexed,DrugBank,drug,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1,DRUG_1342
1343,1343,1343,1343,1343,1343,1343,1343,DB08461,"3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL",DrugBank,drug,CC(C)(C)N1N=C(CC2=CC(O)=CC=C2)C2=C1N=CN=C2N,DRUG_1343
1344,1344,1344,1344,1344,1344,1344,1344,DB11720,Angiotensin 1-7,DrugBank,drug,[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O,DRUG_1344
1345,1345,1345,1345,1345,1345,1345,1345,DB02215,Furoyl-Leucine,DrugBank,drug,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O,DRUG_1345
1346,1346,1346,1346,1346,1346,1346,1346,DB13603,Pyrrolnitrin,DrugBank,drug,[O-][N+](=O)C1=C(Cl)C=CC=C1C1=CNC=C1Cl,DRUG_1346
1347,1347,1347,1347,1347,1347,1347,1347,DB15232,Telaglenastat,DrugBank,drug,FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1,DRUG_1347
1348,1348,1348,1348,1348,1348,1348,1348,DB01948,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One",DrugBank,drug,FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1,DRUG_1348
1349,1349,1349,1349,1349,1349,1349,1349,DB18725,Cevidoplenib,DrugBank,drug,CN1C=C(C(=O)C2CC2)C2=CC(NC3=NC(=CC=N3)N3C=C(CN4C[C@H](O)CO4)C(C)=N3)=CC=C12,DRUG_1349
1350,1350,1350,1350,1350,1350,1350,1350,DB04648,S-propylamine-L-cysteine,DrugBank,drug,NCCCSC[C@H](N)CO,DRUG_1350
1351,1351,1351,1351,1351,1351,1351,1351,DB07920,N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide,DrugBank,drug,O=NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_1351
1352,1352,1352,1352,1352,1352,1352,1352,DB04798,THIO-ATPA,DrugBank,drug,[H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O,DRUG_1352
1353,1353,1353,1353,1353,1353,1353,1353,DB12142,Duligotuzumab,DrugBank,drug,,DRUG_1353
1354,1354,1354,1354,1354,1354,1354,1354,DB06206,Sugammadex,DrugBank,drug,O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(O)=O)[C@@H](O[C@H]4O[C@H](CSCCC(O)=O)[C@@H](O[C@H]5O[C@H](CSCCC(O)=O)[C@@H](O[C@H]6O[C@H](CSCCC(O)=O)[C@@H](O[C@H]7O[C@H](CSCCC(O)=O)[C@@H](O[C@H]8O[C@H](CSCCC(O)=O)[C@@H](O[C@H]9O[C@H](CSCCC(O)=O)[C@@H](O[C@H]1O[C@@H]2CSCCC(O)=O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O,DRUG_1354
1355,1355,1355,1355,1355,1355,1355,1355,DB13547,Sulfatolamide,DrugBank,drug,NCC1=CC=C(C=C1)S(N)(=O)=O.NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_1355
1356,1356,1356,1356,1356,1356,1356,1356,DB13014,Hypericin,DrugBank,drug,CC1=C2C3=C(C)C=C(O)C4=C3C3=C5C2=C(C(O)=C1)C(=O)C1=C5C(=C(O)C=C1O)C1=C(O)C=C(O)C(C4=O)=C31,DRUG_1356
1357,1357,1357,1357,1357,1357,1357,1357,DB13912,Coumermycin A1,DrugBank,drug,CO[C@H]1[C@H](OC(=O)C2=CC=C(C)N2)[C@H](O)[C@@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=C(C)C(=CN2)C(=O)NC2=C(O)C4=C(OC2=O)C(C)=C(O[C@H]2OC(C)(C)[C@@H](OC)[C@H](OC(=O)C5=CC=C(C)N5)[C@@H]2O)C=C4)C(=O)O3)OC1(C)C,DRUG_1357
1358,1358,1358,1358,1358,1358,1358,1358,DB00614,Furazolidone,DrugBank,drug,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CCOC1=O,DRUG_1358
1359,1359,1359,1359,1359,1359,1359,1359,DB13910,Valproate bismuth,DrugBank,drug,[Bi+3].CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O.CCCC(CCC)C([O-])=O,DRUG_1359
1360,1360,1360,1360,1360,1360,1360,1360,DB03323,Maltose,DrugBank,drug,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,DRUG_1360
1361,1361,1361,1361,1361,1361,1361,1361,DB08192,2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE,DrugBank,drug,[H][C@]1(CC2=C(CN1)C=CC=C2)C1=NC(C(O)=O)=C(S1)C(C)C,DRUG_1361
1362,1362,1362,1362,1362,1362,1362,1362,DB07223,CA-074 methyl ester,DrugBank,drug,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC,DRUG_1362
1363,1363,1363,1363,1363,1363,1363,1363,DB16394,Tixagevimab,DrugBank,drug,,DRUG_1363
1364,1364,1364,1364,1364,1364,1364,1364,DB06402,Telavancin,DrugBank,drug,CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=C3OC4=CC=C(C=C4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]4C(C=C2OC2=C(Cl)C=C(C=C2)[C@@H](O)[C@@H]2NC(=O)[C@H](NC4=O)C4=CC(=C(O)C=C4)C4=C(O)C(CNCP(O)(O)=O)=C(O)C=C4[C@H](NC2=O)C(O)=O)=C3)O[C@@H](C)[C@H]1O,DRUG_1364
1365,1365,1365,1365,1365,1365,1365,1365,DB14854,TC-6987,DrugBank,drug,FC1=CC(=CC(F)=C1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1CC1=CN=CC=C1,DRUG_1365
1366,1366,1366,1366,1366,1366,1366,1366,DB13685,Quingestanol,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@H]34)OC3CCCC3)[C@@H]1CC[C@@]2(O)C#C,DRUG_1366
1367,1367,1367,1367,1367,1367,1367,1367,DB00611,Butorphanol,DrugBank,drug,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1,DRUG_1367
1368,1368,1368,1368,1368,1368,1368,1368,DB07441,"3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID",DrugBank,drug,CN1C2=CC=CC=C2C(C#N)(C(=O)NCCC(O)=O)C2=C1C=CC=C2,DRUG_1368
1369,1369,1369,1369,1369,1369,1369,1369,DB04830,Buformin,DrugBank,drug,CCCC\N=C(/N)N=C(N)N,DRUG_1369
1370,1370,1370,1370,1370,1370,1370,1370,DB07607,4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE,DrugBank,drug,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1,DRUG_1370
1371,1371,1371,1371,1371,1371,1371,1371,DB05209,Rozrolimupab,DrugBank,drug,,DRUG_1371
1372,1372,1372,1372,1372,1372,1372,1372,DB13657,Benorilate,DrugBank,drug,CC(=O)NC1=CC=C(OC(=O)C2=CC=CC=C2OC(C)=O)C=C1,DRUG_1372
1373,1373,1373,1373,1373,1373,1373,1373,DB03039,"4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=CC=C1F,DRUG_1373
1374,1374,1374,1374,1374,1374,1374,1374,DB13246,Quinupramine,DrugBank,drug,C1CN2CCC1C(C2)N1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_1374
1375,1375,1375,1375,1375,1375,1375,1375,DB00081,Tositumomab,DrugBank,drug,,DRUG_1375
1376,1376,1376,1376,1376,1376,1376,1376,DB13230,Gestonorone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_1376
1377,1377,1377,1377,1377,1377,1377,1377,DB00736,Esomeprazole,DrugBank,drug,COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,DRUG_1377
1378,1378,1378,1378,1378,1378,1378,1378,DB00291,Chlorambucil,DrugBank,drug,OC(=O)CCCC1=CC=C(C=C1)N(CCCl)CCCl,DRUG_1378
1379,1379,1379,1379,1379,1379,1379,1379,DB00994,Neomycin,DrugBank,drug,,DRUG_1379
1380,1380,1380,1380,1380,1380,1380,1380,DB07852,"1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID",DrugBank,drug,CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O,DRUG_1380
1381,1381,1381,1381,1381,1381,1381,1381,DB19209,Ruzinurad,DrugBank,drug,OC(=O)C1(CCC1)SC1=CC=NC2=CC=C(Br)C=C12,DRUG_1381
1382,1382,1382,1382,1382,1382,1382,1382,DB00891,Sulfapyridine,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,DRUG_1382
1383,1383,1383,1383,1383,1383,1383,1383,DB13671,Sulbentine,DrugBank,drug,S=C1SCN(CC2=CC=CC=C2)CN1CC1=CC=CC=C1,DRUG_1383
1384,1384,1384,1384,1384,1384,1384,1384,DB11480,Zoalene,DrugBank,drug,CC1=C(C=C(C=C1C(N)=O)[N+]([O-])=O)[N+]([O-])=O,DRUG_1384
1385,1385,1385,1385,1385,1385,1385,1385,DB09201,Ciglitazone,DrugBank,drug,CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1,DRUG_1385
1386,1386,1386,1386,1386,1386,1386,1386,DB00057,Indium In-111 satumomab pendetide,DrugBank,drug,,DRUG_1386
1387,1387,1387,1387,1387,1387,1387,1387,DB12435,Tipelukast,DrugBank,drug,CCCC1=C(O)C(=CC=C1SCCCOC1=C(CCC)C(OCCCC(O)=O)=C(C=C1)C(C)=O)C(C)=O,DRUG_1387
1388,1388,1388,1388,1388,1388,1388,1388,DB19010,Supinoxin,DrugBank,drug,COC1=CC(=CC(OC)=C1)N1CCN(CC1)C(=O)NC1=NC2=CC(F)=CC=C2N=C1OC,DRUG_1388
1389,1389,1389,1389,1389,1389,1389,1389,DB15636,Zilucoplan,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O,DRUG_1389
1390,1390,1390,1390,1390,1390,1390,1390,DB03893,Thionicotinamide-Adenine-Dinucleotide,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_1390
1391,1391,1391,1391,1391,1391,1391,1391,DB01752,S-adenosyl-L-homocysteine,DrugBank,drug,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,DRUG_1391
1392,1392,1392,1392,1392,1392,1392,1392,DB00069,Interferon alfacon-1,DrugBank,drug,,DRUG_1392
1393,1393,1393,1393,1393,1393,1393,1393,DB14835,SUVN-G3031,DrugBank,drug,O=C(CN1CCOCC1)NC1=CC=C(OC2CCN(CC2)C2CCC2)C=C1,DRUG_1393
1394,1394,1394,1394,1394,1394,1394,1394,DB06967,"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE",DrugBank,drug,CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC,DRUG_1394
1395,1395,1395,1395,1395,1395,1395,1395,DB05152,NGX267,DrugBank,drug,CC[C@@H]1SC2(CCN(C)CC2)NC1=O,DRUG_1395
1396,1396,1396,1396,1396,1396,1396,1396,DB16076,GSK2245035,DrugBank,drug,CCC[C@H](C)OC1=NC(N)=C2NC(=O)N(CCCCCN3CCCCC3)C2=N1,DRUG_1396
1397,1397,1397,1397,1397,1397,1397,1397,DB08752,N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,DrugBank,drug,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N,DRUG_1397
1398,1398,1398,1398,1398,1398,1398,1398,DB11999,Vosaroxin,DrugBank,drug,CN[C@H]1CN(C[C@@H]1OC)C1=CC=C2C(=O)C(=CN(C3=NC=CS3)C2=N1)C(O)=O,DRUG_1398
1399,1399,1399,1399,1399,1399,1399,1399,DB09069,Trimetazidine,DrugBank,drug,COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1,DRUG_1399
1400,1400,1400,1400,1400,1400,1400,1400,DB00866,Alprenolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC=C1CC=C,DRUG_1400
1401,1401,1401,1401,1401,1401,1401,1401,DB13917,Deoxyepinephrine,DrugBank,drug,CNCCC1=CC(O)=C(O)C=C1,DRUG_1401
1402,1402,1402,1402,1402,1402,1402,1402,DB02110,Protoporphyrin Ix Containing Co,DrugBank,drug,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Co]6(N34)N78)C(C)=C5C=C,DRUG_1402
1403,1403,1403,1403,1403,1403,1403,1403,DB07658,AC-(D)Phe-pro-borolys-OH,DrugBank,drug,CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O,DRUG_1403
1404,1404,1404,1404,1404,1404,1404,1404,DB01067,Glipizide,DrugBank,drug,CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,DRUG_1404
1405,1405,1405,1405,1405,1405,1405,1405,DB08000,"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE",DrugBank,drug,OC(=O)CN1C(=O)C2=C(C(=CC3=CC=CC=C23)C(O)=O)S1(=O)=O,DRUG_1405
1406,1406,1406,1406,1406,1406,1406,1406,DB08339,PD-166326,DrugBank,drug,CN1C(=O)C(=CC2=CN=C(NC3=CC=CC(CO)=C3)N=C12)C1=C(Cl)C=CC=C1Cl,DRUG_1406
1407,1407,1407,1407,1407,1407,1407,1407,DB02140,N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C,DRUG_1407
1408,1408,1408,1408,1408,1408,1408,1408,DB06395,Abafungin,DrugBank,drug,CC1=CC(C)=C(OC2=CC=CC=C2C2=CSC(N=C3NCCCN3)=N2)C=C1,DRUG_1408
1409,1409,1409,1409,1409,1409,1409,1409,DB01125,Anisindione,DrugBank,drug,COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,DRUG_1409
1410,1410,1410,1410,1410,1410,1410,1410,DB00203,Sildenafil,DrugBank,drug,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1,DRUG_1410
1411,1411,1411,1411,1411,1411,1411,1411,DB00331,Metformin,DrugBank,drug,CN(C)C(=N)NC(N)=N,DRUG_1411
1412,1412,1412,1412,1412,1412,1412,1412,DB13983,"5,7,2′-trihydroxy-6,8-dimethoxyflavone",DrugBank,drug,COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O,DRUG_1412
1413,1413,1413,1413,1413,1413,1413,1413,DB00889,Granisetron,DrugBank,drug,CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C2=C1C=CC=C2,DRUG_1413
1414,1414,1414,1414,1414,1414,1414,1414,DB00060,Interferon beta-1a,DrugBank,drug,,DRUG_1414
1415,1415,1415,1415,1415,1415,1415,1415,DB12124,Namitecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3\C=N\OCCN)C2=O,DRUG_1415
1416,1416,1416,1416,1416,1416,1416,1416,DB09010,Carmofur,DrugBank,drug,CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,DRUG_1416
1417,1417,1417,1417,1417,1417,1417,1417,DB14905,Emactuzumab,DrugBank,drug,,DRUG_1417
1418,1418,1418,1418,1418,1418,1418,1418,DB01684,1-Hydroxy-1-Thio-Glycerol,DrugBank,drug,OC[C@@H](O)CSO,DRUG_1418
1419,1419,1419,1419,1419,1419,1419,1419,DB00772,Malathion,DrugBank,drug,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,DRUG_1419
1420,1420,1420,1420,1420,1420,1420,1420,DB06315,ISF402,DrugBank,drug,[H][C@](C)(O)[C@]([H])(\N=C(/O)[C@]([H])(CC1=CN=CN1)\N=C(/O)[C@@]([H])(N)C(C)C)C(\O)=N\[C@@]([H])(CC(O)=N)C(O)=O,DRUG_1420
1421,1421,1421,1421,1421,1421,1421,1421,DB07780,Farnesyl diphosphate,DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,DRUG_1421
1422,1422,1422,1422,1422,1422,1422,1422,DB03368,"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione",DrugBank,drug,CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_1422
1423,1423,1423,1423,1423,1423,1423,1423,DB05514,Cobiprostone,DrugBank,drug,CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1,DRUG_1423
1424,1424,1424,1424,1424,1424,1424,1424,DB01095,Fluvastatin,DrugBank,drug,CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1,DRUG_1424
1425,1425,1425,1425,1425,1425,1425,1425,DB07668,alpha-Methyl-2-hydroxy-4-diethylaminocinnamic acid,DrugBank,drug,CCN(CC)C1=CC(O)=C(\C=C(/C)C(O)=O)C=C1,DRUG_1425
1426,1426,1426,1426,1426,1426,1426,1426,DB12194,Atamestane,DrugBank,drug,CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C,DRUG_1426
1427,1427,1427,1427,1427,1427,1427,1427,DB05343,Arundic acid,DrugBank,drug,CCCCCC[C@@H](CCC)C(O)=O,DRUG_1427
1428,1428,1428,1428,1428,1428,1428,1428,DB12581,Ozarelix,DrugBank,drug,[H]N=C(N([H])[H])N([H])CCC[C@H](N([H])C(=O)[C@H](CCCC)N([H])C(=O)[C@@H](CCCCN([H])C(=O)N([H])[H])N([H])C(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)N([H])C(=O)[C@@H](CC1=CN=CC=C1)N([H])C(=O)[C@@H](CC1=CC=C(Cl)C=C1)N([H])C(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)N([H])C(C)=O)C(=O)N1CCC[C@H]1C(=O)N([H])[C@H](C)C(=O)N([H])[H],DRUG_1428
1429,1429,1429,1429,1429,1429,1429,1429,DB08009,SU-11652,DrugBank,drug,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C,DRUG_1429
1430,1430,1430,1430,1430,1430,1430,1430,DB09147,Ferric pyrophosphate,DrugBank,drug,[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,DRUG_1430
1431,1431,1431,1431,1431,1431,1431,1431,DB12548,Sparsentan,DrugBank,drug,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C,DRUG_1431
1432,1432,1432,1432,1432,1432,1432,1432,DB11359,Guaiacol,DrugBank,drug,COC1=C(O)C=CC=C1,DRUG_1432
1433,1433,1433,1433,1433,1433,1433,1433,DB00340,Metixene,DrugBank,drug,CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1,DRUG_1433
1434,1434,1434,1434,1434,1434,1434,1434,DB08705,"6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE",DrugBank,drug,OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1,DRUG_1434
1435,1435,1435,1435,1435,1435,1435,1435,DB00526,Oxaliplatin,DrugBank,drug,[H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]11OC(=O)C(=O)O1,DRUG_1435
1436,1436,1436,1436,1436,1436,1436,1436,DB12807,Naptumomab estafenatox,DrugBank,drug,,DRUG_1436
1437,1437,1437,1437,1437,1437,1437,1437,DB02067,Triglu-5-formyl-tetrahydrofolate,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H],DRUG_1437
1438,1438,1438,1438,1438,1438,1438,1438,DB11560,Lesinurad,DrugBank,drug,OC(=O)CSC1=NN=C(Br)N1C1=CC=C(C2CC2)C2=C1C=CC=C2,DRUG_1438
1439,1439,1439,1439,1439,1439,1439,1439,DB08738,1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1,DRUG_1439
1440,1440,1440,1440,1440,1440,1440,1440,DB06546,Atibuclimab,DrugBank,drug,,DRUG_1440
1441,1441,1441,1441,1441,1441,1441,1441,DB11171,Ferric sulfate,DrugBank,drug,O.O.O.O.O.[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,DRUG_1441
1442,1442,1442,1442,1442,1442,1442,1442,DB05190,XL281,DrugBank,drug,,DRUG_1442
1443,1443,1443,1443,1443,1443,1443,1443,DB04781,5-hydroxyvaleric acid,DrugBank,drug,OCCCCC(O)=O,DRUG_1443
1444,1444,1444,1444,1444,1444,1444,1444,DB07944,N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE,DrugBank,drug,CC1=CC(OCCNC2=CC=[NH+]C=C2)=CC(NS(=O)(=O)C2=CC=CC=C2)=C1,DRUG_1444
1445,1445,1445,1445,1445,1445,1445,1445,DB17045,Phorbol 12-myristate 13-acetate diester,DrugBank,drug,[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C,DRUG_1445
1446,1446,1446,1446,1446,1446,1446,1446,DB02661,"Adenosine-5'-diphosphate-2',3'-vanadate",DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12,DRUG_1446
1447,1447,1447,1447,1447,1447,1447,1447,DB04929,DG031,DrugBank,drug,,DRUG_1447
1448,1448,1448,1448,1448,1448,1448,1448,DB13908,Amylmetacresol,DrugBank,drug,CCCCCC1=CC=C(C)C=C1O,DRUG_1448
1449,1449,1449,1449,1449,1449,1449,1449,DB03194,Methyl beta-L-fucopyranoside,DrugBank,drug,CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,DRUG_1449
1450,1450,1450,1450,1450,1450,1450,1450,DB01382,Glymidine,DrugBank,drug,COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1,DRUG_1450
1451,1451,1451,1451,1451,1451,1451,1451,DB12781,Balaglitazone,DrugBank,drug,CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=CC=C2C1=O,DRUG_1451
1452,1452,1452,1452,1452,1452,1452,1452,DB06985,2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid,DrugBank,drug,OC(=O)C1=C(NC(=O)N2CCC(CC2)C2=C(C=CC=C2)C(F)(F)F)C=CC=C1,DRUG_1452
1453,1453,1453,1453,1453,1453,1453,1453,DB12042,Ibodutant,DrugBank,drug,CC1=CC=C2C=C(SC2=C1)C(=O)NC1(CCCC1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)NCC1CCN(CC2CCOCC2)CC1,DRUG_1453
1454,1454,1454,1454,1454,1454,1454,1454,DB14502,"Sodium phosphate, dibasic",DrugBank,drug,[Na+].[Na+].OP([O-])([O-])=O,DRUG_1454
1455,1455,1455,1455,1455,1455,1455,1455,DB06607,Catumaxomab,DrugBank,drug,,DRUG_1455
1456,1456,1456,1456,1456,1456,1456,1456,DB16222,Loncastuximab tesirine,DrugBank,drug,,DRUG_1456
1457,1457,1457,1457,1457,1457,1457,1457,DB02097,Cytidine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_1457
1458,1458,1458,1458,1458,1458,1458,1458,DB09183,Dasabuvir,DrugBank,drug,COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C,DRUG_1458
1459,1459,1459,1459,1459,1459,1459,1459,DB02104,"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine",DrugBank,drug,COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1,DRUG_1459
1460,1460,1460,1460,1460,1460,1460,1460,DB15051,Ethaselen,DrugBank,drug,O=C1N(CCN2[Se]C3=C(C=CC=C3)C2=O)[Se]C2=C1C=CC=C2,DRUG_1460
1461,1461,1461,1461,1461,1461,1461,1461,DB11256,Levomefolic acid,DrugBank,drug,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,DRUG_1461
1462,1462,1462,1462,1462,1462,1462,1462,DB06580,Celgosivir,DrugBank,drug,CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O,DRUG_1462
1463,1463,1463,1463,1463,1463,1463,1463,DB00147,Pyridoxal,DrugBank,drug,CC1=NC=C(CO)C(C=O)=C1O,DRUG_1463
1464,1464,1464,1464,1464,1464,1464,1464,DB00701,Amprenavir,DrugBank,drug,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_1464
1465,1465,1465,1465,1465,1465,1465,1465,DB08565,L-1-naphthyl-2-acetamido-ethane boronic acid,DrugBank,drug,[H]N([C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)O)C(C)=O,DRUG_1465
1466,1466,1466,1466,1466,1466,1466,1466,DB06625,Vipadenant,DrugBank,drug,CC1=CC(CN2N=NC3=C(N=C(N)N=C23)C2=CC=CO2)=CC=C1N,DRUG_1466
1467,1467,1467,1467,1467,1467,1467,1467,DB12524,BI-671800,DrugBank,drug,CN(C)C1=NC(CC2=CC=C(NC(=O)C3=CC=C(C=C3)C(F)(F)F)C=C2)=NC(N(C)C)=C1CC(O)=O,DRUG_1467
1468,1468,1468,1468,1468,1468,1468,1468,DB01645,Genistein,DrugBank,drug,OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,DRUG_1468
1469,1469,1469,1469,1469,1469,1469,1469,DB08445,"(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",DrugBank,drug,[H][C@]1(N)CN(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)C1=CC(=NC=N1)C1=CC=C(OC)N=C1,DRUG_1469
1470,1470,1470,1470,1470,1470,1470,1470,DB16678,Talquetamab,DrugBank,drug,,DRUG_1470
1471,1471,1471,1471,1471,1471,1471,1471,DB08254,2-Naphthalenesulfonic acid,DrugBank,drug,OS(=O)(=O)C1=CC2=CC=CC=C2C=C1,DRUG_1471
1472,1472,1472,1472,1472,1472,1472,1472,DB03073,3-Methoxybenzamide,DrugBank,drug,COC1=CC(=CC=C1)C(N)=O,DRUG_1472
1473,1473,1473,1473,1473,1473,1473,1473,DB12671,Beloranib,DrugBank,drug,CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C1=CC=C(OCCN(C)C)C=C1,DRUG_1473
1474,1474,1474,1474,1474,1474,1474,1474,DB01326,Cefamandole,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,DRUG_1474
1475,1475,1475,1475,1475,1475,1475,1475,DB16554,Metadoxine,DrugBank,drug,OC(=O)[C@@H]1CCC(=O)N1.CC1=NC=C(CO)C(CO)=C1O,DRUG_1475
1476,1476,1476,1476,1476,1476,1476,1476,DB13703,Gepefrine,DrugBank,drug,[H][C@@](C)(N)CC1=CC(O)=CC=C1,DRUG_1476
1477,1477,1477,1477,1477,1477,1477,1477,DB14219,Monomethyl fumarate,DrugBank,drug,COC(=O)\C=C\C(O)=O,DRUG_1477
1478,1478,1478,1478,1478,1478,1478,1478,DB03336,BIA,DrugBank,drug,OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F,DRUG_1478
1479,1479,1479,1479,1479,1479,1479,1479,DB00269,Chlorotrianisene,DrugBank,drug,COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1,DRUG_1479
1480,1480,1480,1480,1480,1480,1480,1480,DB03496,Alvocidib,DrugBank,drug,CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl,DRUG_1480
1481,1481,1481,1481,1481,1481,1481,1481,DB06575,Valomaciclovir,DrugBank,drug,CC(C)[C@H](N)C(=O)OCC[C@@H](CO)CN1C=NC2=C1N=C(N)NC2=O,DRUG_1481
1482,1482,1482,1482,1482,1482,1482,1482,DB08077,"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID",DrugBank,drug,CC(C)(OC1=CC=C(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1)C(O)=O,DRUG_1482
1483,1483,1483,1483,1483,1483,1483,1483,DB00137,Lutein,DrugBank,drug,C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,DRUG_1483
1484,1484,1484,1484,1484,1484,1484,1484,DB12865,Etelcalcetide,DrugBank,drug,C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O,DRUG_1484
1485,1485,1485,1485,1485,1485,1485,1485,DB07558,acetylleucyl-leucyl-norleucinal,DrugBank,drug,[H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,DRUG_1485
1486,1486,1486,1486,1486,1486,1486,1486,DB06900,1-[4-(hydroxymethyl)phenyl]guanidine,DrugBank,drug,NC(=N)NC1=CC=C(CO)C=C1,DRUG_1486
1487,1487,1487,1487,1487,1487,1487,1487,DB04593,3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID,DrugBank,drug,CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(=CC=C1)C(O)=O)C(=O)N[C@@H](CCC(N)=N)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_1487
1488,1488,1488,1488,1488,1488,1488,1488,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",DrugBank,drug,[H][C@](CCN1C(=O)C2=CC=CC=C2C1=O)(CC(=O)C1=CC=C(C=C1)C1=CC=C(OCC)C=C1)C(O)=O,DRUG_1488
1489,1489,1489,1489,1489,1489,1489,1489,DB02457,Undecyl-Phosphinic Acid Butyl Ester,DrugBank,drug,[H][P@@](=O)(CCCCCCCCCCC)OCCCC,DRUG_1489
1490,1490,1490,1490,1490,1490,1490,1490,DB13435,Endralazine,DrugBank,drug,N\N=C1/NN=C2CCN(CC2=C1)C(=O)C1=CC=CC=C1,DRUG_1490
1491,1491,1491,1491,1491,1491,1491,1491,DB14737,Cannabinol,DrugBank,drug,CCCCCC1=CC2=C(C(O)=C1)C1=C(C=CC(C)=C1)C(C)(C)O2,DRUG_1491
1492,1492,1492,1492,1492,1492,1492,1492,DB00444,Teniposide,DrugBank,drug,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@]1([H])O[C@]2([H])CO[C@H](O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1,DRUG_1492
1493,1493,1493,1493,1493,1493,1493,1493,DB09103,Ancestim,DrugBank,drug,,DRUG_1493
1494,1494,1494,1494,1494,1494,1494,1494,DB11432,Narasin,DrugBank,drug,[H][C@@]1(CC[C@](O)(CC)[C@H](C)O1)[C@]1(C)CC[C@]2(O1)O[C@@]1(O[C@]([H])([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@]3([H])O[C@@]([H])([C@@H](CC)C(O)=O)[C@@H](C)C[C@@H]3C)[C@@H](C)C[C@H]1C)C=C[C@H]2O,DRUG_1494
1495,1495,1495,1495,1495,1495,1495,1495,DB01742,(3r)-1-Acetyl-3-Methylpiperidine,DrugBank,drug,C[C@@H]1CCCN(C1)C(C)=O,DRUG_1495
1496,1496,1496,1496,1496,1496,1496,1496,DB05101,Matuzumab,DrugBank,drug,,DRUG_1496
1497,1497,1497,1497,1497,1497,1497,1497,DB04539,Glyphosate,DrugBank,drug,OC(=O)C[NH2+]CP(O)(O)=O,DRUG_1497
1498,1498,1498,1498,1498,1498,1498,1498,DB00704,Naltrexone,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O,DRUG_1498
1499,1499,1499,1499,1499,1499,1499,1499,DB00746,Deferoxamine,DrugBank,drug,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,DRUG_1499
1500,1500,1500,1500,1500,1500,1500,1500,DB16267,Olutasidenib,DrugBank,drug,C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(NC1=O)C=CC(Cl)=C2,DRUG_1500
1501,1501,1501,1501,1501,1501,1501,1501,DB06480,Prucalopride,DrugBank,drug,COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1,DRUG_1501
1502,1502,1502,1502,1502,1502,1502,1502,DB02611,Balanol Analog 1,DrugBank,drug,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(O)C=C1)NC(=O)C1=CC=C(O)C=C1,DRUG_1502
1503,1503,1503,1503,1503,1503,1503,1503,DB09213,Dexibuprofen,DrugBank,drug,CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O,DRUG_1503
1504,1504,1504,1504,1504,1504,1504,1504,DB01105,Sibutramine,DrugBank,drug,CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1,DRUG_1504
1505,1505,1505,1505,1505,1505,1505,1505,DB03040,Nitrilotriacetic acid,DrugBank,drug,OC(=O)CN(CC(O)=O)CC(O)=O,DRUG_1505
1506,1506,1506,1506,1506,1506,1506,1506,DB05161,Elafin,DrugBank,drug,,DRUG_1506
1507,1507,1507,1507,1507,1507,1507,1507,DB06752,Chymopapain,DrugBank,drug,,DRUG_1507
1508,1508,1508,1508,1508,1508,1508,1508,DB01837,O-acetyl-L-serine,DrugBank,drug,CC(=O)OC[C@H](N)C(O)=O,DRUG_1508
1509,1509,1509,1509,1509,1509,1509,1509,DB11963,Dacomitinib,DrugBank,drug,COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,DRUG_1509
1510,1510,1510,1510,1510,1510,1510,1510,DB01678,RU84687,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_1510
1511,1511,1511,1511,1511,1511,1511,1511,DB13930,Ulixertinib,DrugBank,drug,[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C,DRUG_1511
1512,1512,1512,1512,1512,1512,1512,1512,DB02935,Diglyme,DrugBank,drug,COCCOCCOC,DRUG_1512
1513,1513,1513,1513,1513,1513,1513,1513,DB05484,MDX-018,DrugBank,drug,,DRUG_1513
1514,1514,1514,1514,1514,1514,1514,1514,DB06073,CTS-21166,DrugBank,drug,,DRUG_1514
1515,1515,1515,1515,1515,1515,1515,1515,DB07374,Anisomycin,DrugBank,drug,[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O,DRUG_1515
1516,1516,1516,1516,1516,1516,1516,1516,DB07798,"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DrugBank,drug,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F,DRUG_1516
1517,1517,1517,1517,1517,1517,1517,1517,DB12182,Binetrakin,DrugBank,drug,,DRUG_1517
1518,1518,1518,1518,1518,1518,1518,1518,DB03938,Deacetoxycephalosporin C,DrugBank,drug,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,DRUG_1518
1519,1519,1519,1519,1519,1519,1519,1519,DB06153,Pizotifen,DrugBank,drug,CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2,DRUG_1519
1520,1520,1520,1520,1520,1520,1520,1520,DB09097,Quinagolide,DrugBank,drug,[H][C@]12C[C@@H](CN(CCC)[C@]1([H])CC1=CC=CC(O)=C1C2)NS(=O)(=O)N(CC)CC,DRUG_1520
1521,1521,1521,1521,1521,1521,1521,1521,DB11389,Clorsulon,DrugBank,drug,NC1=C(C=C(C(=C1)C(Cl)=C(Cl)Cl)S(N)(=O)=O)S(N)(=O)=O,DRUG_1521
1522,1522,1522,1522,1522,1522,1522,1522,DB08660,Quinalizarin,DrugBank,drug,OC1=CC=C(O)C2=C1C(=O)C1=C(C(O)=C(O)C=C1)C2=O,DRUG_1522
1523,1523,1523,1523,1523,1523,1523,1523,DB11860,Aramchol,DrugBank,drug,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@H]23)C1,DRUG_1523
1524,1524,1524,1524,1524,1524,1524,1524,DB14562,Andexanet alfa,DrugBank,drug,,DRUG_1524
1525,1525,1525,1525,1525,1525,1525,1525,DB12058,Recoflavone,DrugBank,drug,COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(OC)C=C(OCC(O)=O)C=C2O1,DRUG_1525
1526,1526,1526,1526,1526,1526,1526,1526,DB12248,Tulobuterol,DrugBank,drug,CC(C)(C)NCC(O)C1=CC=CC=C1Cl,DRUG_1526
1527,1527,1527,1527,1527,1527,1527,1527,DB16737,MM3122,DrugBank,drug,CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1,DRUG_1527
1528,1528,1528,1528,1528,1528,1528,1528,DB11362,Selexipag,DrugBank,drug,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1,DRUG_1528
1529,1529,1529,1529,1529,1529,1529,1529,DB00625,Efavirenz,DrugBank,drug,FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1,DRUG_1529
1530,1530,1530,1530,1530,1530,1530,1530,DB03150,"2',3'-Dideoxythymidine-5'-Monophosphate",DrugBank,drug,CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,DRUG_1530
1531,1531,1531,1531,1531,1531,1531,1531,DB14046,Dichlorobenzene,DrugBank,drug,,DRUG_1531
1532,1532,1532,1532,1532,1532,1532,1532,DB00684,Tobramycin,DrugBank,drug,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,DRUG_1532
1533,1533,1533,1533,1533,1533,1533,1533,DB08087,"4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE",DrugBank,drug,[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=CC=C(C#N)C2=CC=CC=C12,DRUG_1533
1534,1534,1534,1534,1534,1534,1534,1534,DB08006,"N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,CC1=NC2=NC=NN2C(NC2=CC3=CC4=CC=CC=C4C=C3C=C2)=C1,DRUG_1534
1535,1535,1535,1535,1535,1535,1535,1535,DB12758,Atreleuton,DrugBank,drug,C[C@H](C#CC1=CC=C(CC2=CC=C(F)C=C2)S1)N(O)C(N)=O,DRUG_1535
1536,1536,1536,1536,1536,1536,1536,1536,DB06995,N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide,DrugBank,drug,NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1,DRUG_1536
1537,1537,1537,1537,1537,1537,1537,1537,DB02917,N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide,DrugBank,drug,CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1,DRUG_1537
1538,1538,1538,1538,1538,1538,1538,1538,DB09487,Iotrolan,DrugBank,drug,CN(C(=O)CC(=O)N(C)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I)C1=C(I)C(C(=O)NC(CO)C(O)CO)=C(I)C(C(=O)NC(CO)C(O)CO)=C1I,DRUG_1538
1539,1539,1539,1539,1539,1539,1539,1539,DB03088,Pidolic acid,DrugBank,drug,OC(=O)[C@@H]1CCC(=O)N1,DRUG_1539
1540,1540,1540,1540,1540,1540,1540,1540,DB04112,(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate,DrugBank,drug,[H]N([C@H](COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCSC)C(C)=O,DRUG_1540
1541,1541,1541,1541,1541,1541,1541,1541,DB06792,Lanthanum carbonate,DrugBank,drug,[La+3].[La+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O,DRUG_1541
1542,1542,1542,1542,1542,1542,1542,1542,DB15089,Frovocimab,DrugBank,drug,,DRUG_1542
1543,1543,1543,1543,1543,1543,1543,1543,DB05542,Naronapride,DrugBank,drug,CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1,DRUG_1543
1544,1544,1544,1544,1544,1544,1544,1544,DB00584,Enalapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O,DRUG_1544
1545,1545,1545,1545,1545,1545,1545,1545,DB01366,Procaterol,DrugBank,drug,CC[C@@H](NC(C)C)[C@@H](O)C1=CC=C(O)C2=C1C=CC(=O)N2,DRUG_1545
1546,1546,1546,1546,1546,1546,1546,1546,DB04337,Isocyanomethane,DrugBank,drug,C[N+]#[C-],DRUG_1546
1547,1547,1547,1547,1547,1547,1547,1547,DB04149,(R)-Rolipram,DrugBank,drug,[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1,DRUG_1547
1548,1548,1548,1548,1548,1548,1548,1548,DB12412,Gemigliptin,DrugBank,drug,N[C@H](CN1CC(F)(F)CCC1=O)CC(=O)N1CCC2=C(C1)N=C(N=C2C(F)(F)F)C(F)(F)F,DRUG_1548
1549,1549,1549,1549,1549,1549,1549,1549,DB03697,4-Sulfonamide-[1-(4-Aminobutane)]Benzamide,DrugBank,drug,NCCCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_1549
1550,1550,1550,1550,1550,1550,1550,1550,DB09245,Toloxatone,DrugBank,drug,CC1=CC(=CC=C1)N1CC(CO)OC1=O,DRUG_1550
1551,1551,1551,1551,1551,1551,1551,1551,DB13733,Methylpentynol,DrugBank,drug,CCC(C)(O)C#C,DRUG_1551
1552,1552,1552,1552,1552,1552,1552,1552,DB00230,Pregabalin,DrugBank,drug,CC(C)C[C@H](CN)CC(O)=O,DRUG_1552
1553,1553,1553,1553,1553,1553,1553,1553,DB09070,Tibolone,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)CC3)C[C@@]([H])(C)[C@@]21[H],DRUG_1553
1554,1554,1554,1554,1554,1554,1554,1554,DB09212,Loxoprofen,DrugBank,drug,CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1,DRUG_1554
1555,1555,1555,1555,1555,1555,1555,1555,DB15299,Navtemadlin,DrugBank,drug,CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)C1=CC=CC(Cl)=C1)C1=CC=C(Cl)C=C1,DRUG_1555
1556,1556,1556,1556,1556,1556,1556,1556,DB03694,N-phenylthiourea,DrugBank,drug,NC(=S)NC1=CC=CC=C1,DRUG_1556
1557,1557,1557,1557,1557,1557,1557,1557,DB17087,JNJ-17216498,DrugBank,drug,,DRUG_1557
1558,1558,1558,1558,1558,1558,1558,1558,DB08256,N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE,DrugBank,drug,OC(=O)CNC(=O)NC1CCCCC1,DRUG_1558
1559,1559,1559,1559,1559,1559,1559,1559,DB06679,Amediplase,DrugBank,drug,,DRUG_1559
1560,1560,1560,1560,1560,1560,1560,1560,DB13557,Thiopropazate,DrugBank,drug,CC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,DRUG_1560
1561,1561,1561,1561,1561,1561,1561,1561,DB15762,Satralizumab,DrugBank,drug,,DRUG_1561
1562,1562,1562,1562,1562,1562,1562,1562,DB01579,Phendimetrazine,DrugBank,drug,C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1,DRUG_1562
1563,1563,1563,1563,1563,1563,1563,1563,DB01609,Deferasirox,DrugBank,drug,OC(=O)C1=CC=C(C=C1)N1N=C(N=C1C1=CC=CC=C1O)C1=CC=CC=C1O,DRUG_1563
1564,1564,1564,1564,1564,1564,1564,1564,DB06356,TRC093,DrugBank,drug,,DRUG_1564
1565,1565,1565,1565,1565,1565,1565,1565,DB12511,Imiglitazar,DrugBank,drug,CC1=C(COC2=CC=C(CO\N=C(/CCC(O)=O)C3=CC=CC=C3)C=C2)N=C(O1)C1=CC=CC=C1,DRUG_1565
1566,1566,1566,1566,1566,1566,1566,1566,DB08835,Spaglumic acid,DrugBank,drug,CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,DRUG_1566
1567,1567,1567,1567,1567,1567,1567,1567,DB07156,"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione",DrugBank,drug,BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1,DRUG_1567
1568,1568,1568,1568,1568,1568,1568,1568,DB13944,Testosterone enanthate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_1568
1569,1569,1569,1569,1569,1569,1569,1569,DB01064,Isoprenaline,DrugBank,drug,CC(C)NCC(O)C1=CC(O)=C(O)C=C1,DRUG_1569
1570,1570,1570,1570,1570,1570,1570,1570,DB02809,"Brodimoprim-4,6-Dicarboxylate",DrugBank,drug,COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OCCC[C@@H](CCC([O-])=O)C([O-])=O)=C1Br,DRUG_1570
1571,1571,1571,1571,1571,1571,1571,1571,DB00827,Cinoxacin,DrugBank,drug,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,DRUG_1571
1572,1572,1572,1572,1572,1572,1572,1572,DB08473,Dichlororibofuranosylbenzimidazole,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=CC(Cl)=C(Cl)C=C12,DRUG_1572
1573,1573,1573,1573,1573,1573,1573,1573,DB18964,Orforglipron,DrugBank,drug,[H][C@@]1(CCOC(C)(C)C1)C1=CC=C2N(C(=CC2=C1)C(=O)N1CCC2=NN(C(N3C=CN(C3=O)C3=CC=C4N(C)N=CC4=C3F)=C2[C@@H]1C)C1=CC(C)=C(F)C(C)=C1)[C@]1(C[C@@H]1C)C1=NOC(=O)N1,DRUG_1573
1574,1574,1574,1574,1574,1574,1574,1574,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",DrugBank,drug,[H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N,DRUG_1574
1575,1575,1575,1575,1575,1575,1575,1575,DB00695,Furosemide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O,DRUG_1575
1576,1576,1576,1576,1576,1576,1576,1576,DB12512,Verucerfont,DrugBank,drug,CC[C@H](NC1=CC(C)=NC2=C(C(C)=NN12)C1=CC=C(OC)C=C1C)C1=NC(C)=NO1,DRUG_1576
1577,1577,1577,1577,1577,1577,1577,1577,DB14515,Magnesium lactate,DrugBank,drug,[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O,DRUG_1577
1578,1578,1578,1578,1578,1578,1578,1578,DB00058,Alpha-1-proteinase inhibitor,DrugBank,drug,,DRUG_1578
1579,1579,1579,1579,1579,1579,1579,1579,DB02318,2-deoxy-2-fluoro-alpha-D-mannosyl fluoride,DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F,DRUG_1579
1580,1580,1580,1580,1580,1580,1580,1580,DB00265,Crotamiton,DrugBank,drug,CCN(C(=O)C=CC)C1=CC=CC=C1C,DRUG_1580
1581,1581,1581,1581,1581,1581,1581,1581,DB13475,Furazidin,DrugBank,drug,[O-][N+](=O)C1=CC=C(O1)\C=C\C=N\N1CC(=O)NC1=O,DRUG_1581
1582,1582,1582,1582,1582,1582,1582,1582,DB09225,Zotepine,DrugBank,drug,CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12,DRUG_1582
1583,1583,1583,1583,1583,1583,1583,1583,DB03685,Uridine monophosphate,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_1583
1584,1584,1584,1584,1584,1584,1584,1584,DB04695,Farnesyl thiopyrophosphate,DrugBank,drug,[H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C,DRUG_1584
1585,1585,1585,1585,1585,1585,1585,1585,DB06877,"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE",DrugBank,drug,CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1,DRUG_1585
1586,1586,1586,1586,1586,1586,1586,1586,DB15055,ABT-639,DrugBank,drug,FC1=CC=CC=C1NS(=O)(=O)C1=C(F)C=C(Cl)C(=C1)C(=O)N1CCN2CCC[C@@H]2C1,DRUG_1586
1587,1587,1587,1587,1587,1587,1587,1587,DB11639,Dibotermin alfa,DrugBank,drug,,DRUG_1587
1588,1588,1588,1588,1588,1588,1588,1588,DB07520,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE",DrugBank,drug,[H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,DRUG_1588
1589,1589,1589,1589,1589,1589,1589,1589,DB08502,Capravirine,DrugBank,drug,CC(C)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC2=CC=NC=C2)C(COC(N)=O)=N1,DRUG_1589
1590,1590,1590,1590,1590,1590,1590,1590,DB08550,"7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline",DrugBank,drug,ClC1=CC=C2CCNCC2=C1Cl,DRUG_1590
1591,1591,1591,1591,1591,1591,1591,1591,DB01537,"4-Bromo-2,5-dimethoxyphenethylamine",DrugBank,drug,COC1=CC(Br)=C(OC)C=C1CCN,DRUG_1591
1592,1592,1592,1592,1592,1592,1592,1592,DB08197,"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime",DrugBank,drug,[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1,DRUG_1592
1593,1593,1593,1593,1593,1593,1593,1593,DB01338,Pipecuronium,DrugBank,drug,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1,DRUG_1593
1594,1594,1594,1594,1594,1594,1594,1594,DB13675,Metahexamide,DrugBank,drug,CC1=CC=C(C=C1N)S(=O)(=O)NC(=O)NC1CCCCC1,DRUG_1594
1595,1595,1595,1595,1595,1595,1595,1595,DB05423,ORG-34517,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_1595
1596,1596,1596,1596,1596,1596,1596,1596,DB06919,D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,DRUG_1596
1597,1597,1597,1597,1597,1597,1597,1597,DB01263,Posaconazole,DrugBank,drug,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1,DRUG_1597
1598,1598,1598,1598,1598,1598,1598,1598,DB08805,Metiamide,DrugBank,drug,CNC(=S)NCCSCC1=C(C)NC=N1,DRUG_1598
1599,1599,1599,1599,1599,1599,1599,1599,DB00102,Becaplermin,DrugBank,drug,,DRUG_1599
1600,1600,1600,1600,1600,1600,1600,1600,DB05983,Bardoxolone methyl,DrugBank,drug,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,DRUG_1600
1601,1601,1601,1601,1601,1601,1601,1601,DB00581,Lactulose,DrugBank,drug,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,DRUG_1601
1602,1602,1602,1602,1602,1602,1602,1602,DB04009,Dimethyl Propionate Ester Heme,DrugBank,drug,COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C,DRUG_1602
1603,1603,1603,1603,1603,1603,1603,1603,DB10990,Haemophilus influenzae type B strain 20752 capsular polysaccharide tetanus toxoid conjugate antigen,DrugBank,drug,,DRUG_1603
1604,1604,1604,1604,1604,1604,1604,1604,DB06261,Hexaminolevulinate,DrugBank,drug,[H]N([H])CC(=O)CCC(=O)OCCCCCC,DRUG_1604
1605,1605,1605,1605,1605,1605,1605,1605,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",DrugBank,drug,[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O,DRUG_1605
1606,1606,1606,1606,1606,1606,1606,1606,DB04602,PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE,DrugBank,drug,CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](N)[C@H]1O,DRUG_1606
1607,1607,1607,1607,1607,1607,1607,1607,DB08995,Diosmin,DrugBank,drug,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1,DRUG_1607
1608,1608,1608,1608,1608,1608,1608,1608,DB07154,"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE",DrugBank,drug,[H][C@](N)(CC(=O)N1CCCNC(=O)[C@@]1([H])C)CC1=C(F)C=C(F)C(F)=C1,DRUG_1608
1609,1609,1609,1609,1609,1609,1609,1609,DB04805,Virginiamycin S1,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@]([H])(CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1,DRUG_1609
1610,1610,1610,1610,1610,1610,1610,1610,DB06828,5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole,DrugBank,drug,C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1,DRUG_1610
1611,1611,1611,1611,1611,1611,1611,1611,DB06316,R343,DrugBank,drug,CNC(=O)COC1=CC=CC(NC2=NC=C(F)C(NC3=CC=C4OC(F)(F)C(=O)NC4=C3)=N2)=C1,DRUG_1611
1612,1612,1612,1612,1612,1612,1612,1612,DB03250,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(C2=NC3=CC(C)=CC=C3S2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_1612
1613,1613,1613,1613,1613,1613,1613,1613,DB14995,NP-G2-044,DrugBank,drug,CC1=C(C=CO1)C(=O)NC1=NN(CC2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C12,DRUG_1613
1614,1614,1614,1614,1614,1614,1614,1614,DB00628,Clorazepic acid,DrugBank,drug,OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,DRUG_1614
1615,1615,1615,1615,1615,1615,1615,1615,DB09496,Octinoxate,DrugBank,drug,[H]\C(=C(\[H])C1=CC=C(OC)C=C1)C(=O)OCC(CC)CCCC,DRUG_1615
1616,1616,1616,1616,1616,1616,1616,1616,DB08615,"2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM",DrugBank,drug,CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1,DRUG_1616
1617,1617,1617,1617,1617,1617,1617,1617,DB00797,Tolazoline,DrugBank,drug,C(C1=NCCN1)C1=CC=CC=C1,DRUG_1617
1618,1618,1618,1618,1618,1618,1618,1618,DB08695,3-(4-nitrophenyl)-1H-pyrazole,DrugBank,drug,[O-][N+](=O)C1=CC=C(C=C1)C1=NNC=C1,DRUG_1618
1619,1619,1619,1619,1619,1619,1619,1619,DB00268,Ropinirole,DrugBank,drug,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,DRUG_1619
1620,1620,1620,1620,1620,1620,1620,1620,DB07323,"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",DrugBank,drug,CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O,DRUG_1620
1621,1621,1621,1621,1621,1621,1621,1621,DB14785,Fenebrutinib,DrugBank,drug,C[C@H]1CN(CCN1C1=CC=C(NC2=CC(=CN(C)C2=O)C2=C(CO)C(=NC=C2)N2CCN3C4=C(CC(C)(C)C4)C=C3C2=O)N=C1)C1COC1,DRUG_1621
1622,1622,1622,1622,1622,1622,1622,1622,DB11780,Allicin,DrugBank,drug,C=CCSS(=O)CC=C,DRUG_1622
1623,1623,1623,1623,1623,1623,1623,1623,DB03385,4-Methylimidazole,DrugBank,drug,CC1=CNC=N1,DRUG_1623
1624,1624,1624,1624,1624,1624,1624,1624,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",DrugBank,drug,OC(=O)C1=CC=C(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)C=C1,DRUG_1624
1625,1625,1625,1625,1625,1625,1625,1625,DB08869,Tesamorelin,DrugBank,drug,,DRUG_1625
1626,1626,1626,1626,1626,1626,1626,1626,DB07004,2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide,DrugBank,drug,CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC,DRUG_1626
1627,1627,1627,1627,1627,1627,1627,1627,DB11569,Ixekizumab,DrugBank,drug,,DRUG_1627
1628,1628,1628,1628,1628,1628,1628,1628,DB12910,Emicerfont,DrugBank,drug,COC1=CC=C(N2CCC3=C2N=C(C)C=C3N2C=CC(=N2)N2CCNC2=O)C(C)=C1,DRUG_1628
1629,1629,1629,1629,1629,1629,1629,1629,DB14731,Tagraxofusp,DrugBank,drug,,DRUG_1629
1630,1630,1630,1630,1630,1630,1630,1630,DB05624,Teverelix,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_1630
1631,1631,1631,1631,1631,1631,1631,1631,DB04356,9-Deazaguanine,DrugBank,drug,NC1=NC2=C(NC=C2)C(=O)N1,DRUG_1631
1632,1632,1632,1632,1632,1632,1632,1632,DB13164,Olmutinib,DrugBank,drug,CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1,DRUG_1632
1633,1633,1633,1633,1633,1633,1633,1633,DB07234,"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione",DrugBank,drug,[H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1,DRUG_1633
1634,1634,1634,1634,1634,1634,1634,1634,DB07700,"3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran",DrugBank,drug,[H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O,DRUG_1634
1635,1635,1635,1635,1635,1635,1635,1635,DB01056,Tocainide,DrugBank,drug,CC(N)C(=O)NC1=C(C)C=CC=C1C,DRUG_1635
1636,1636,1636,1636,1636,1636,1636,1636,DB07907,(2S)-2-HYDROXYOCTANOIC ACID,DrugBank,drug,[H][C@](O)(CCCCCC)C(O)=O,DRUG_1636
1637,1637,1637,1637,1637,1637,1637,1637,DB02057,(S)-AMPA,DrugBank,drug,CC1=C(C[C@H](N)C(O)=O)C(O)=NO1,DRUG_1637
1638,1638,1638,1638,1638,1638,1638,1638,DB12757,Pelitrexol,DrugBank,drug,CC1=C(CC[C@@H]2CNC3=C(C2)C(=O)NC(N)=N3)SC(=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,DRUG_1638
1639,1639,1639,1639,1639,1639,1639,1639,DB02580,Pentaglyme,DrugBank,drug,COCCOCCOCCOCCOCCOC,DRUG_1639
1640,1640,1640,1640,1640,1640,1640,1640,DB00302,Tranexamic acid,DrugBank,drug,NC[C@H]1CC[C@@H](CC1)C(O)=O,DRUG_1640
1641,1641,1641,1641,1641,1641,1641,1641,DB15647,Ketodarolutamide,DrugBank,drug,C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)=O,DRUG_1641
1642,1642,1642,1642,1642,1642,1642,1642,DB01089,Deserpidine,DrugBank,drug,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,DRUG_1642
1643,1643,1643,1643,1643,1643,1643,1643,DB10772,Foreskin keratinocyte (neonatal),DrugBank,drug,,DRUG_1643
1644,1644,1644,1644,1644,1644,1644,1644,DB04552,Niflumic acid,DrugBank,drug,OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1,DRUG_1644
1645,1645,1645,1645,1645,1645,1645,1645,DB05033,INCB7839,DrugBank,drug,,DRUG_1645
1646,1646,1646,1646,1646,1646,1646,1646,DB02551,"6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DrugBank,drug,[H][C@]1(CC)CNCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,DRUG_1646
1647,1647,1647,1647,1647,1647,1647,1647,DB00290,Bleomycin,DrugBank,drug,[H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O,DRUG_1647
1648,1648,1648,1648,1648,1648,1648,1648,DB02249,2-Ethoxyethanol,DrugBank,drug,CCOCCO,DRUG_1648
1649,1649,1649,1649,1649,1649,1649,1649,DB14490,Ferrous ascorbate,DrugBank,drug,[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-],DRUG_1649
1650,1650,1650,1650,1650,1650,1650,1650,DB03801,Lysine Nz-Carboxylic Acid,DrugBank,drug,N[C@@H](CCCCNC(O)=O)C(O)=O,DRUG_1650
1651,1651,1651,1651,1651,1651,1651,1651,DB13729,Camostat,DrugBank,drug,CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1,DRUG_1651
1652,1652,1652,1652,1652,1652,1652,1652,DB12085,LCL-161,DrugBank,drug,CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C1=NC(=CS1)C(=O)C1=CC=C(F)C=C1,DRUG_1652
1653,1653,1653,1653,1653,1653,1653,1653,DB12561,WNT-974,DrugBank,drug,CC1=CC(=CC=N1)C1=NC=C(CC(=O)NC2=CC=C(C=N2)C2=CN=CC=N2)C=C1C,DRUG_1653
1654,1654,1654,1654,1654,1654,1654,1654,DB06213,Regadenoson,DrugBank,drug,CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1,DRUG_1654
1655,1655,1655,1655,1655,1655,1655,1655,DB01620,Pheniramine,DrugBank,drug,CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1,DRUG_1655
1656,1656,1656,1656,1656,1656,1656,1656,DB13779,Guanoclor,DrugBank,drug,NC(=N)NNCCOC1=C(Cl)C=CC=C1Cl,DRUG_1656
1657,1657,1657,1657,1657,1657,1657,1657,DB17977,Murizatoclax,DrugBank,drug,CO[C@]1(CN2CCN3CCCC[C@@H]3C2)\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)C2=CC=C3OC[C@]4(CCCC5=CC(Cl)=CC=C45)CN(C[C@@H]4CC[C@@H]14)C3=C2,DRUG_1657
1658,1658,1658,1658,1658,1658,1658,1658,DB12466,Favipiravir,DrugBank,drug,NC(=O)C1=NC(F)=CN=C1O,DRUG_1658
1659,1659,1659,1659,1659,1659,1659,1659,DB02479,(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,DrugBank,drug,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12,DRUG_1659
1660,1660,1660,1660,1660,1660,1660,1660,DB00828,Fosfomycin,DrugBank,drug,C[C@@H]1O[C@@H]1P(O)(O)=O,DRUG_1660
1661,1661,1661,1661,1661,1661,1661,1661,DB11857,Seribantumab,DrugBank,drug,,DRUG_1661
1662,1662,1662,1662,1662,1662,1662,1662,DB13595,Almasilate,DrugBank,drug,O.[Mg++].[Al+3].[Al+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-],DRUG_1662
1663,1663,1663,1663,1663,1663,1663,1663,DB01640,"6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one",DrugBank,drug,C[C@@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC(I)=CC=C3)C(=O)CCC2)C=C1,DRUG_1663
1664,1664,1664,1664,1664,1664,1664,1664,DB05143,OXI-4503,DrugBank,drug,[H]\C(=C(/[H])C1=C(OP(O)(O)=O)C(OP(O)(O)=O)=C(OC)C=C1)C1=CC(OC)=C(OC)C(OC)=C1,DRUG_1664
1665,1665,1665,1665,1665,1665,1665,1665,DB09229,Aranidipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O,DRUG_1665
1666,1666,1666,1666,1666,1666,1666,1666,DB02698,"N-(M-Trifluoromethylphenyl) Phenoxazine-4,6-Dicarboxylic Acid",DrugBank,drug,OC(=O)C1=CC=CC2=C1OC1=C(C=CC=C1C(O)=O)N2C1=CC(=CC=C1)C(F)(F)F,DRUG_1666
1667,1667,1667,1667,1667,1667,1667,1667,DB06781,Difluprednate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_1667
1668,1668,1668,1668,1668,1668,1668,1668,DB11576,Ferric oxide,DrugBank,drug,O=[Fe]O[Fe]=O,DRUG_1668
1669,1669,1669,1669,1669,1669,1669,1669,DB00012,Darbepoetin alfa,DrugBank,drug,,DRUG_1669
1670,1670,1670,1670,1670,1670,1670,1670,DB11491,Sarafloxacin,DrugBank,drug,OC(=O)C1=CN(C2=CC=C(F)C=C2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,DRUG_1670
1671,1671,1671,1671,1671,1671,1671,1671,DB02820,"1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct",DrugBank,drug,,DRUG_1671
1672,1672,1672,1672,1672,1672,1672,1672,DB02987,Cysteine-S-acetamide,DrugBank,drug,N[C@@H](CSCC(N)=O)C(O)=O,DRUG_1672
1673,1673,1673,1673,1673,1673,1673,1673,DB02720,alpha-D-glucopyranosyl-2-carboxylic acid amide,DrugBank,drug,[H]N([H])C(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_1673
1674,1674,1674,1674,1674,1674,1674,1674,DB00936,Salicylic acid,DrugBank,drug,OC(=O)C1=CC=CC=C1O,DRUG_1674
1675,1675,1675,1675,1675,1675,1675,1675,DB07102,(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid,DrugBank,drug,[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O,DRUG_1675
1676,1676,1676,1676,1676,1676,1676,1676,DB05154,Pretomanid,DrugBank,drug,[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC1=CC=C(OC(F)(F)F)C=C1,DRUG_1676
1677,1677,1677,1677,1677,1677,1677,1677,DB17929,DaxibotulinumtoxinA,DrugBank,drug,,DRUG_1677
1678,1678,1678,1678,1678,1678,1678,1678,DB13644,Methylthiouracil,DrugBank,drug,CC1=CC(=O)NC(=S)N1,DRUG_1678
1679,1679,1679,1679,1679,1679,1679,1679,DB01201,Rifapentine,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=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)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O,DRUG_1679
1680,1680,1680,1680,1680,1680,1680,1680,DB04054,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",DrugBank,drug,CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12,DRUG_1680
1681,1681,1681,1681,1681,1681,1681,1681,DB00032,Menotropins,DrugBank,drug,,DRUG_1681
1682,1682,1682,1682,1682,1682,1682,1682,DB12495,Selepressin,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O,DRUG_1682
1683,1683,1683,1683,1683,1683,1683,1683,DB12478,Piribedil,DrugBank,drug,C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1,DRUG_1683
1684,1684,1684,1684,1684,1684,1684,1684,DB02813,"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone",DrugBank,drug,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O,DRUG_1684
1685,1685,1685,1685,1685,1685,1685,1685,DB11820,Nifurtimox,DrugBank,drug,CC1CS(=O)(=O)CCN1\N=C\C1=CC=C(O1)[N+]([O-])=O,DRUG_1685
1686,1686,1686,1686,1686,1686,1686,1686,DB12966,Falnidamol,DrugBank,drug,CN1CCC(CC1)NC1=NC=C2N=CN=C(NC3=CC=C(F)C(Cl)=C3)C2=N1,DRUG_1686
1687,1687,1687,1687,1687,1687,1687,1687,DB15164,Apadamtase alfa,DrugBank,drug,,DRUG_1687
1688,1688,1688,1688,1688,1688,1688,1688,DB03932,LFA703,DrugBank,drug,[H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H],DRUG_1688
1689,1689,1689,1689,1689,1689,1689,1689,DB01616,Alverine,DrugBank,drug,CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1,DRUG_1689
1690,1690,1690,1690,1690,1690,1690,1690,DB00675,Tamoxifen,DrugBank,drug,CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,DRUG_1690
1691,1691,1691,1691,1691,1691,1691,1691,DB16446,Vafidemstat,DrugBank,drug,NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1,DRUG_1691
1692,1692,1692,1692,1692,1692,1692,1692,DB03525,RU79073,DrugBank,drug,OP(O)(=O)OC1=C2NCCCC2=CC=C1,DRUG_1692
1693,1693,1693,1693,1693,1693,1693,1693,DB00941,Hexafluronium,DrugBank,drug,C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2,DRUG_1693
1694,1694,1694,1694,1694,1694,1694,1694,DB11845,Lucitanib,DrugBank,drug,CNC(=O)C1=C2C=CC(OC3=C4C=C(OC)C(OCC5(N)CC5)=CC4=NC=C3)=CC2=CC=C1,DRUG_1694
1695,1695,1695,1695,1695,1695,1695,1695,DB04791,"2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL",DrugBank,drug,[H][C@@]1(CO[C@]2([H])[C@@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,DRUG_1695
1696,1696,1696,1696,1696,1696,1696,1696,DB04006,"[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone",DrugBank,drug,NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1,DRUG_1696
1697,1697,1697,1697,1697,1697,1697,1697,DB08707,"4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine",DrugBank,drug,NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1,DRUG_1697
1698,1698,1698,1698,1698,1698,1698,1698,DB09317,"Synthetic Conjugated Estrogens, A",DrugBank,drug,,DRUG_1698
1699,1699,1699,1699,1699,1699,1699,1699,DB04129,Willardiine,DrugBank,drug,NOC(=O)CCN1C=CC(=O)NC1=O,DRUG_1699
1700,1700,1700,1700,1700,1700,1700,1700,DB08865,Crizotinib,DrugBank,drug,[H][C@](C)(OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl,DRUG_1700
1701,1701,1701,1701,1701,1701,1701,1701,DB11990,MK-0812,DrugBank,drug,CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CN2CCC3=C(C2)C=C(C=N3)C(F)(F)F)(C1)C(C)C,DRUG_1701
1702,1702,1702,1702,1702,1702,1702,1702,DB07738,"N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",DrugBank,drug,COC1=C(OC)C(CN2CCC(CC2)NC(=O)CCCS)=CC(Br)=C1,DRUG_1702
1703,1703,1703,1703,1703,1703,1703,1703,DB00964,Apraclonidine,DrugBank,drug,NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1,DRUG_1703
1704,1704,1704,1704,1704,1704,1704,1704,DB10318,Varicella zoster vaccine (live/attenuated),DrugBank,drug,,DRUG_1704
1705,1705,1705,1705,1705,1705,1705,1705,DB04897,Lucinactant,DrugBank,drug,,DRUG_1705
1706,1706,1706,1706,1706,1706,1706,1706,DB00239,Oxiconazole,DrugBank,drug,ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1,DRUG_1706
1707,1707,1707,1707,1707,1707,1707,1707,DB18665,Psoralen,DrugBank,drug,O=C1OC2=CC3=C(C=CO3)C=C2C=C1,DRUG_1707
1708,1708,1708,1708,1708,1708,1708,1708,DB17159,Denfivontinib,DrugBank,drug,CN1CCC(CC1)NC1=NC(NC2=CC=C(OC3=CC=CC=C3)C=C2)=C2C(=O)NC=C(Br)C2=N1,DRUG_1708
1709,1709,1709,1709,1709,1709,1709,1709,DB02381,nor-NOHA,DrugBank,drug,N[C@@H](CCNC(=N)NO)C(O)=O,DRUG_1709
1710,1710,1710,1710,1710,1710,1710,1710,DB15289,Perillyl alcohol,DrugBank,drug,CC(=C)[C@H]1CCC(CO)=CC1,DRUG_1710
1711,1711,1711,1711,1711,1711,1711,1711,DB06342,Coltuximab ravtansine,DrugBank,drug,,DRUG_1711
1712,1712,1712,1712,1712,1712,1712,1712,DB09507,Ferumoxsil,DrugBank,drug,,DRUG_1712
1713,1713,1713,1713,1713,1713,1713,1713,DB01329,Cefoperazone,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O,DRUG_1713
1714,1714,1714,1714,1714,1714,1714,1714,DB05100,Prinomastat,DrugBank,drug,CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)C1=CC=C(OC2=CC=NC=C2)C=C1,DRUG_1714
1715,1715,1715,1715,1715,1715,1715,1715,DB00787,Acyclovir,DrugBank,drug,NC1=NC(=O)C2=C(N1)N(COCCO)C=N2,DRUG_1715
1716,1716,1716,1716,1716,1716,1716,1716,DB06273,Tocilizumab,DrugBank,drug,,DRUG_1716
1717,1717,1717,1717,1717,1717,1717,1717,DB09257,Gimeracil,DrugBank,drug,OC1=CC(=O)NC=C1Cl,DRUG_1717
1718,1718,1718,1718,1718,1718,1718,1718,DB14765,Rivoceranib,DrugBank,drug,O=C(NC1=CC=C(C=C1)C1(CCCC1)C#N)C1=CC=CN=C1NCC1=CC=NC=C1,DRUG_1718
1719,1719,1719,1719,1719,1719,1719,1719,DB12541,SAR-405838,DrugBank,drug,CC(C)(C)C[C@@H]1N[C@H]([C@H](C2=C(F)C(Cl)=CC=C2)[C@]11C(=O)NC2=C1C=CC(Cl)=C2)C(=O)N[C@H]1CC[C@H](O)CC1,DRUG_1719
1720,1720,1720,1720,1720,1720,1720,1720,DB04002,4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCCNCS,DRUG_1720
1721,1721,1721,1721,1721,1721,1721,1721,DB11799,Bictegravir,DrugBank,drug,OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O,DRUG_1721
1722,1722,1722,1722,1722,1722,1722,1722,DB04583,"5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid",DrugBank,drug,NC(=O)C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,DRUG_1722
1723,1723,1723,1723,1723,1723,1723,1723,DB09288,Propacetamol,DrugBank,drug,CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1,DRUG_1723
1724,1724,1724,1724,1724,1724,1724,1724,DB02187,Equilin,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3,DRUG_1724
1725,1725,1725,1725,1725,1725,1725,1725,DB00985,Dimenhydrinate,DrugBank,drug,CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1725
1726,1726,1726,1726,1726,1726,1726,1726,DB18012,Vemircopan,DrugBank,drug,CC(=O)C1=NN(CC(=O)N2[C@@H]3C[C@]3(C)C[C@H]2C(=O)NC2=NC(Br)=CC=C2C)C2=CC=C(C=C12)C1=CN=C(C)N=C1,DRUG_1726
1727,1727,1727,1727,1727,1727,1727,1727,DB06695,Dabigatran etexilate,DrugBank,drug,CCCCCCOC(=O)\N=C(\N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=NC=CC=C3)N2C)C=C1,DRUG_1727
1728,1728,1728,1728,1728,1728,1728,1728,DB14948,BMS-986020,DrugBank,drug,C[C@@H](OC(=O)NC1=C(ON=C1C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(O)=O)C1=CC=CC=C1,DRUG_1728
1729,1729,1729,1729,1729,1729,1729,1729,DB00735,Naftifine,DrugBank,drug,CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12,DRUG_1729
1730,1730,1730,1730,1730,1730,1730,1730,DB00421,Spironolactone,DrugBank,drug,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O,DRUG_1730
1731,1731,1731,1731,1731,1731,1731,1731,DB07378,"4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",DrugBank,drug,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,DRUG_1731
1732,1732,1732,1732,1732,1732,1732,1732,DB07771,"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID",DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O,DRUG_1732
1733,1733,1733,1733,1733,1733,1733,1733,DB05049,DDP733,DrugBank,drug,,DRUG_1733
1734,1734,1734,1734,1734,1734,1734,1734,DB09409,Magnesium acetate tetrahydrate,DrugBank,drug,O.O.O.O.[Mg++].CC([O-])=O.CC([O-])=O,DRUG_1734
1735,1735,1735,1735,1735,1735,1735,1735,DB12963,CCX-354,DrugBank,drug,COC1=CC(=CC=C1Cl)N1CCN(CC1)C(=O)CN1N=C(C2=NC=CN2)C2=CC=CN=C12,DRUG_1735
1736,1736,1736,1736,1736,1736,1736,1736,DB07956,[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER,DrugBank,drug,[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C(=O)NC1=CC=CC(Cl)=C1C=O,DRUG_1736
1737,1737,1737,1737,1737,1737,1737,1737,DB08162,Fasudil,DrugBank,drug,O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2,DRUG_1737
1738,1738,1738,1738,1738,1738,1738,1738,DB01104,Sertraline,DrugBank,drug,CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,DRUG_1738
1739,1739,1739,1739,1739,1739,1739,1739,DB07066,"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DrugBank,drug,[H][C@]1(CC2=C(NC1=O)C=CC=C2)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,DRUG_1739
1740,1740,1740,1740,1740,1740,1740,1740,DB12126,Bradykinin,DrugBank,drug,N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,DRUG_1740
1741,1741,1741,1741,1741,1741,1741,1741,DB09222,Fibrinogen human,DrugBank,drug,,DRUG_1741
1742,1742,1742,1742,1742,1742,1742,1742,DB16690,Tegoprazan,DrugBank,drug,CN(C)C(=O)C1=CC(O[C@H]2CCOC3=CC(F)=CC(F)=C23)=C2NC(C)=NC2=C1,DRUG_1742
1743,1743,1743,1743,1743,1743,1743,1743,DB02365,"1,10-Phenanthroline",DrugBank,drug,C1=CC2=CC=C3C=CC=NC3=C2N=C1,DRUG_1743
1744,1744,1744,1744,1744,1744,1744,1744,DB00211,Midodrine,DrugBank,drug,COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1,DRUG_1744
1745,1745,1745,1745,1745,1745,1745,1745,DB14058,Basifungin,DrugBank,drug,CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(NC1=O)C(C)C)[C@H](C)C(C)C,DRUG_1745
1746,1746,1746,1746,1746,1746,1746,1746,DB08104,"N-(3,5-dibromo-4-hydroxyphenyl)benzamide",DrugBank,drug,OC1=C(Br)C=C(NC(=O)C2=CC=CC=C2)C=C1Br,DRUG_1746
1747,1747,1747,1747,1747,1747,1747,1747,DB07389,N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE,DrugBank,drug,CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1,DRUG_1747
1748,1748,1748,1748,1748,1748,1748,1748,DB12713,Sotagliflozin,DrugBank,drug,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1,DRUG_1748
1749,1749,1749,1749,1749,1749,1749,1749,DB01807,"N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea",DrugBank,drug,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1,DRUG_1749
1750,1750,1750,1750,1750,1750,1750,1750,DB06510,Muraglitazar,DrugBank,drug,COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1,DRUG_1750
1751,1751,1751,1751,1751,1751,1751,1751,DB13636,Etanautine,DrugBank,drug,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1751
1752,1752,1752,1752,1752,1752,1752,1752,DB11903,GW842166,DrugBank,drug,FC(F)(F)C1=NC(NC2=C(Cl)C=C(Cl)C=C2)=NC=C1C(=O)NCC1CCOCC1,DRUG_1752
1753,1753,1753,1753,1753,1753,1753,1753,DB13197,Kallidinogenase,DrugBank,drug,,DRUG_1753
1754,1754,1754,1754,1754,1754,1754,1754,DB04095,9-Deazahypoxanthine,DrugBank,drug,O=C1NC=NC2=C1NC=C2,DRUG_1754
1755,1755,1755,1755,1755,1755,1755,1755,DB01008,Busulfan,DrugBank,drug,CS(=O)(=O)OCCCCOS(C)(=O)=O,DRUG_1755
1756,1756,1756,1756,1756,1756,1756,1756,DB01841,"4,6-Dideoxyglucose",DrugBank,drug,[H][C@@]1(C)C[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O1,DRUG_1756
1757,1757,1757,1757,1757,1757,1757,1757,DB05501,Mavorixafor,DrugBank,drug,NCCCCN(CC1=NC2=CC=CC=C2N1)[C@H]1CCCC2=C1N=CC=C2,DRUG_1757
1758,1758,1758,1758,1758,1758,1758,1758,DB13433,Simfibrate,DrugBank,drug,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,DRUG_1758
1759,1759,1759,1759,1759,1759,1759,1759,DB19381,AZACYCLONOL,DrugBank,drug,,DRUG_1759
1760,1760,1760,1760,1760,1760,1760,1760,DB01790,(Rp)-cAMPS,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)C2=NC=N1,DRUG_1760
1761,1761,1761,1761,1761,1761,1761,1761,DB00943,Zalcitabine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1,DRUG_1761
1762,1762,1762,1762,1762,1762,1762,1762,DB01336,Metocurine,DrugBank,drug,[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,DRUG_1762
1763,1763,1763,1763,1763,1763,1763,1763,DB01275,Hydralazine,DrugBank,drug,NNC1=NN=CC2=CC=CC=C12,DRUG_1763
1764,1764,1764,1764,1764,1764,1764,1764,DB01032,Probenecid,DrugBank,drug,CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O,DRUG_1764
1765,1765,1765,1765,1765,1765,1765,1765,DB01028,Methoxyflurane,DrugBank,drug,COC(F)(F)C(Cl)Cl,DRUG_1765
1766,1766,1766,1766,1766,1766,1766,1766,DB16388,Axatilimab,DrugBank,drug,,DRUG_1766
1767,1767,1767,1767,1767,1767,1767,1767,DB04572,Thiotepa,DrugBank,drug,S=P(N1CC1)(N1CC1)N1CC1,DRUG_1767
1768,1768,1768,1768,1768,1768,1768,1768,DB01944,(S)-blebbistatin,DrugBank,drug,CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1,DRUG_1768
1769,1769,1769,1769,1769,1769,1769,1769,DB02660,Filaminast,DrugBank,drug,COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O,DRUG_1769
1770,1770,1770,1770,1770,1770,1770,1770,DB13363,Oxaceprol,DrugBank,drug,[H][C@]1(O)CN(C(C)=O)[C@@]([H])(C1)C(O)=O,DRUG_1770
1771,1771,1771,1771,1771,1771,1771,1771,DB00842,Oxazepam,DrugBank,drug,OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,DRUG_1771
1772,1772,1772,1772,1772,1772,1772,1772,DB16159,Esflurbiprofen,DrugBank,drug,C[C@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,DRUG_1772
1773,1773,1773,1773,1773,1773,1773,1773,DB12959,IOWH-032,DrugBank,drug,OC1=C(Br)C=C(C=C1Br)C1=NOC(=N1)C(=O)NCC1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_1773
1774,1774,1774,1774,1774,1774,1774,1774,DB02141,"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",DrugBank,drug,NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1,DRUG_1774
1775,1775,1775,1775,1775,1775,1775,1775,DB12253,GDC-0810,DrugBank,drug,CC\C(=C(\C1=CC=C(\C=C\C(O)=O)C=C1)C1=CC=C2NN=CC2=C1)C1=CC=C(F)C=C1Cl,DRUG_1775
1776,1776,1776,1776,1776,1776,1776,1776,DB07739,"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE",DrugBank,drug,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1,DRUG_1776
1777,1777,1777,1777,1777,1777,1777,1777,DB15172,Suvratoxumab,DrugBank,drug,,DRUG_1777
1778,1778,1778,1778,1778,1778,1778,1778,DB11833,Basimglurant,DrugBank,drug,CC1=NC(C#CC2=CC=NC(Cl)=C2)=C(C)N1C1=CC=C(F)C=C1,DRUG_1778
1779,1779,1779,1779,1779,1779,1779,1779,DB02458,"S-(2,4-dinitrophenyl)glutathione",DrugBank,drug,[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O,DRUG_1779
1780,1780,1780,1780,1780,1780,1780,1780,DB05509,LI-301,DrugBank,drug,,DRUG_1780
1781,1781,1781,1781,1781,1781,1781,1781,DB06401,Bazedoxifene,DrugBank,drug,CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,DRUG_1781
1782,1782,1782,1782,1782,1782,1782,1782,DB09568,Omega-3-carboxylic acids,DrugBank,drug,,DRUG_1782
1783,1783,1783,1783,1783,1783,1783,1783,DB13132,Artemisinin,DrugBank,drug,[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)C(=O)O[C@]3([H])O[C@@]4(C)CC[C@]1([H])[C@@]23OO4,DRUG_1783
1784,1784,1784,1784,1784,1784,1784,1784,DB13566,Sequifenadine,DrugBank,drug,CC1=CC=CC=C1C(O)(C1CN2CCC1CC2)C1=CC=CC=C1C,DRUG_1784
1785,1785,1785,1785,1785,1785,1785,1785,DB15635,Omburtamab,DrugBank,drug,,DRUG_1785
1786,1786,1786,1786,1786,1786,1786,1786,DB08633,TNP-470,DrugBank,drug,[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl,DRUG_1786
1787,1787,1787,1787,1787,1787,1787,1787,DB02624,Homoserine Lactone,DrugBank,drug,N[C@@H]1CCOC1=O,DRUG_1787
1788,1788,1788,1788,1788,1788,1788,1788,DB02031,"(6S)-5,6,7,8-tetrahydrofolic acid",DrugBank,drug,NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,DRUG_1788
1789,1789,1789,1789,1789,1789,1789,1789,DB03329,2-Pyridinethiol,DrugBank,drug,SC1=NC=CC=C1,DRUG_1789
1790,1790,1790,1790,1790,1790,1790,1790,DB00283,Clemastine,DrugBank,drug,CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_1790
1791,1791,1791,1791,1791,1791,1791,1791,DB15246,Salvianolic acid A,DrugBank,drug,OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=C(/C=C/C2=CC(O)=C(O)C=C2)C(O)=C(O)C=C1,DRUG_1791
1792,1792,1792,1792,1792,1792,1792,1792,DB14070,HM-30181,DrugBank,drug,[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1,DRUG_1792
1793,1793,1793,1793,1793,1793,1793,1793,DB16309,Revusiran,DrugBank,drug,,DRUG_1793
1794,1794,1794,1794,1794,1794,1794,1794,DB05217,GMX1777,DrugBank,drug,,DRUG_1794
1795,1795,1795,1795,1795,1795,1795,1795,DB02834,IDD552,DrugBank,drug,OC(=O)COC1=CC(F)=CC=C1C(=O)NCC1=NC2=C(S1)C(F)=CC(F)=C2F,DRUG_1795
1796,1796,1796,1796,1796,1796,1796,1796,DB08358,"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",DrugBank,drug,O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1,DRUG_1796
1797,1797,1797,1797,1797,1797,1797,1797,DB13369,Benzilone,DrugBank,drug,CC[N+]1(CC)CCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1797
1798,1798,1798,1798,1798,1798,1798,1798,DB03312,Brivudine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O,DRUG_1798
1799,1799,1799,1799,1799,1799,1799,1799,DB03133,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(C2=NC3=C(N2)C=C(C)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_1799
1800,1800,1800,1800,1800,1800,1800,1800,DB04796,Inecalcitol,DrugBank,drug,[H][C@@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)CC#CC(C)(C)O,DRUG_1800
1801,1801,1801,1801,1801,1801,1801,1801,DB17061,VEGFR 2 Kinase inhibitor I,DrugBank,drug,CCOC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=CC=C3)=C1C,DRUG_1801
1802,1802,1802,1802,1802,1802,1802,1802,DB12704,Spiradoline,DrugBank,drug,[H][C@@]1(CC[C@@]2(CCCO2)C[C@]1([H])N1CCCC1)N(C)C(=O)CC1=CC(Cl)=C(Cl)C=C1,DRUG_1802
1803,1803,1803,1803,1803,1803,1803,1803,DB12641,Tedatioxetine,DrugBank,drug,CC1=CC=C(SC2=CC=CC=C2C2CCNCC2)C=C1,DRUG_1803
1804,1804,1804,1804,1804,1804,1804,1804,DB03182,alpha-Fluoro-carboxymethyldethia coenzyme A complex,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CC[C@@H](F)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_1804
1805,1805,1805,1805,1805,1805,1805,1805,DB01844,"N,N-dimethylformamide",DrugBank,drug,CN(C)C=O,DRUG_1805
1806,1806,1806,1806,1806,1806,1806,1806,DB06673,Almorexant,DrugBank,drug,CNC(=O)[C@H](N1CCC2=CC(OC)=C(OC)C=C2[C@@H]1CCC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,DRUG_1806
1807,1807,1807,1807,1807,1807,1807,1807,DB10494,Distichlis spicata pollen,DrugBank,drug,,DRUG_1807
1808,1808,1808,1808,1808,1808,1808,1808,DB01970,"Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide",DrugBank,drug,[H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC,DRUG_1808
1809,1809,1809,1809,1809,1809,1809,1809,DB00039,Palifermin,DrugBank,drug,,DRUG_1809
1810,1810,1810,1810,1810,1810,1810,1810,DB14684,Calcium polycarbophil,DrugBank,drug,,DRUG_1810
1811,1811,1811,1811,1811,1811,1811,1811,DB06414,Etravirine,DrugBank,drug,CC1=CC(=CC(C)=C1OC1=C(Br)C(N)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N,DRUG_1811
1812,1812,1812,1812,1812,1812,1812,1812,DB09216,Tolfenamic acid,DrugBank,drug,CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O,DRUG_1812
1813,1813,1813,1813,1813,1813,1813,1813,DB08809,Dichloroacetic acid,DrugBank,drug,OC(=O)C(Cl)Cl,DRUG_1813
1814,1814,1814,1814,1814,1814,1814,1814,DB01050,Ibuprofen,DrugBank,drug,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,DRUG_1814
1815,1815,1815,1815,1815,1815,1815,1815,DB06215,Ferumoxytol,DrugBank,drug,[O--].[O--].[O--].[O--].[Fe++].[Fe+3].[Fe+3],DRUG_1815
1816,1816,1816,1816,1816,1816,1816,1816,DB04764,[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE,DrugBank,drug,NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1,DRUG_1816
1817,1817,1817,1817,1817,1817,1817,1817,DB11608,Eftrenonacog alfa,DrugBank,drug,,DRUG_1817
1818,1818,1818,1818,1818,1818,1818,1818,DB01754,"3,4-Dihydroxy-1-Methylquinolin-2(1h)-One",DrugBank,drug,CN1C(=O)C(O)=C(O)C2=CC=CC=C12,DRUG_1818
1819,1819,1819,1819,1819,1819,1819,1819,DB03752,P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid,DrugBank,drug,[H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=C(I)S1,DRUG_1819
1820,1820,1820,1820,1820,1820,1820,1820,DB16319,GSK-2981278,DrugBank,drug,CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C1=CC(CO)=C(OCC2CCOCC2)C=C1,DRUG_1820
1821,1821,1821,1821,1821,1821,1821,1821,DB07086,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DrugBank,drug,[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C,DRUG_1821
1822,1822,1822,1822,1822,1822,1822,1822,DB00749,Etodolac,DrugBank,drug,CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1,DRUG_1822
1823,1823,1823,1823,1823,1823,1823,1823,DB00083,Botulinum toxin type A,DrugBank,drug,,DRUG_1823
1824,1824,1824,1824,1824,1824,1824,1824,DB00863,Ranitidine,DrugBank,drug,CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O,DRUG_1824
1825,1825,1825,1825,1825,1825,1825,1825,DB13481,Tenidap,DrugBank,drug,NC(=O)N1C(=O)\C(=C(/O)C2=CC=CS2)C2=C1C=CC(Cl)=C2,DRUG_1825
1826,1826,1826,1826,1826,1826,1826,1826,DB14093,"(1,2,6,7-3H)Testosterone",DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C([3H])C([3H])C2=CC(=O)C([3H])C([3H])[C@]12C,DRUG_1826
1827,1827,1827,1827,1827,1827,1827,1827,DB07279,N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE,DrugBank,drug,[H][C@](C)(COC1=CC(=CC(C)=C1)C(=O)N(CC)C(C)C)NC1=CC=NC=C1,DRUG_1827
1828,1828,1828,1828,1828,1828,1828,1828,DB04523,Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate,DrugBank,drug,[H][C@@](NC(=O)OC(C)(C)C)(C=O)C1CCCCC1,DRUG_1828
1829,1829,1829,1829,1829,1829,1829,1829,DB01410,Ciclesonide,DrugBank,drug,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C,DRUG_1829
1830,1830,1830,1830,1830,1830,1830,1830,DB13569,Ferrous chloride,DrugBank,drug,[Cl-].[Cl-].[Fe++],DRUG_1830
1831,1831,1831,1831,1831,1831,1831,1831,DB01134,Desoxycorticosterone pivalate,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C,DRUG_1831
1832,1832,1832,1832,1832,1832,1832,1832,DB12378,Apricoxib,DrugBank,drug,CCOC1=CC=C(C=C1)C1=CC(C)=CN1C1=CC=C(C=C1)S(N)(=O)=O,DRUG_1832
1833,1833,1833,1833,1833,1833,1833,1833,DB06517,MLN576,DrugBank,drug,COC1=C2C=CC3=NC4=CC=CC(C(=O)N[C@H](C)CN(C)C)=C4N=C3C2=CC=C1,DRUG_1833
1834,1834,1834,1834,1834,1834,1834,1834,DB03843,Formaldehyde,DrugBank,drug,[H]C([H])=O,DRUG_1834
1835,1835,1835,1835,1835,1835,1835,1835,DB09327,Tegafur-uracil,DrugBank,drug,O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O,DRUG_1835
1836,1836,1836,1836,1836,1836,1836,1836,DB13963,"1,2-dichlorobenzene",DrugBank,drug,ClC1=C(Cl)C=CC=C1,DRUG_1836
1837,1837,1837,1837,1837,1837,1837,1837,DB06876,"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE",DrugBank,drug,CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1,DRUG_1837
1838,1838,1838,1838,1838,1838,1838,1838,DB04114,"3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine",DrugBank,drug,[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2,DRUG_1838
1839,1839,1839,1839,1839,1839,1839,1839,DB16844,BMS-833923,DrugBank,drug,CNCC1=CC(NC(=O)C2=CC=C(NC3=NC4=CC=CC=C4C(=N3)C3=CC=CC=C3)C=C2)=C(C)C=C1,DRUG_1839
1840,1840,1840,1840,1840,1840,1840,1840,DB03560,P-Hydroxybenzaldehyde,DrugBank,drug,OC1=CC=C(C=O)C=C1,DRUG_1840
1841,1841,1841,1841,1841,1841,1841,1841,DB00387,Procyclidine,DrugBank,drug,OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1,DRUG_1841
1842,1842,1842,1842,1842,1842,1842,1842,DB11967,Binimetinib,DrugBank,drug,CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO,DRUG_1842
1843,1843,1843,1843,1843,1843,1843,1843,DB08783,(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid,DrugBank,drug,[H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC,DRUG_1843
1844,1844,1844,1844,1844,1844,1844,1844,DB15334,Biochanin A,DrugBank,drug,COC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O,DRUG_1844
1845,1845,1845,1845,1845,1845,1845,1845,DB02665,"(1R,2S)-2-Phenylcyclopropanaminium",DrugBank,drug,[NH3+][C@@H]1C[C@H]1C1=CC=CC=C1,DRUG_1845
1846,1846,1846,1846,1846,1846,1846,1846,DB03722,"3,4-Dihydro-5-Methyl-Isoquinolinone",DrugBank,drug,CC1=CC=CC2=C1CCNC2=O,DRUG_1846
1847,1847,1847,1847,1847,1847,1847,1847,DB04775,Reidispongiolide C,DrugBank,drug,[H]/C1=C([H])\C(=O)O[C@]([H])([C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)CCC(=O)[C@]([H])(C)[C@@]([H])(CCC(O)=O)OC)[C@@]([H])(C)\C([H])=C([H])\[C@@]([H])(C[C@]([H])(OC)[C@@]([H])(C)\C([H])=C([H])\[C@]([H])(C[C@]([H])(OC)[C@@]([H])(C)[C@@]2([H])CC(C[C@@]([H])(C\C(C)=C\1/[H])OC)=CC(=O)O2)OC)OC,DRUG_1847
1848,1848,1848,1848,1848,1848,1848,1848,DB16694,Pegcetacoplan,DrugBank,drug,,DRUG_1848
1849,1849,1849,1849,1849,1849,1849,1849,DB12212,Landiolol,DrugBank,drug,CC1(C)OC[C@@H](COC(=O)CCC2=CC=C(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)C=C2)O1,DRUG_1849
1850,1850,1850,1850,1850,1850,1850,1850,DB02872,"Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone",DrugBank,drug,[H][C@]1(N=C(N(C(=O)N2CCN(CCO)CC2)[C@]1([H])C1=CC=C(Br)C=C1)C1=C(OCC)C=C(OC)C=C1)C1=CC=C(Br)C=C1,DRUG_1850
1851,1851,1851,1851,1851,1851,1851,1851,DB00015,Reteplase,DrugBank,drug,,DRUG_1851
1852,1852,1852,1852,1852,1852,1852,1852,DB14583,Segesterone acetate,DrugBank,drug,[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_1852
1853,1853,1853,1853,1853,1853,1853,1853,DB06764,Tetryzoline,DrugBank,drug,C1CN=C(N1)C1CCCC2=CC=CC=C12,DRUG_1853
1854,1854,1854,1854,1854,1854,1854,1854,DB00549,Zafirlukast,DrugBank,drug,COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(NC(=O)OC1CCCC1)C=C2)C(=O)NS(=O)(=O)C1=CC=CC=C1C,DRUG_1854
1855,1855,1855,1855,1855,1855,1855,1855,DB15193,BMS-955176,DrugBank,drug,CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC=C(C=C6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN1CCS(=O)(=O)CC1,DRUG_1855
1856,1856,1856,1856,1856,1856,1856,1856,DB12695,Phenethyl Isothiocyanate,DrugBank,drug,S=C=NCCC1=CC=CC=C1,DRUG_1856
1857,1857,1857,1857,1857,1857,1857,1857,DB04901,Galiximab,DrugBank,drug,,DRUG_1857
1858,1858,1858,1858,1858,1858,1858,1858,DB09133,Iothalamic acid,DrugBank,drug,CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,DRUG_1858
1859,1859,1859,1859,1859,1859,1859,1859,DB07613,3-phenyl-5-(1H-pyrazol-3-yl)isoxazole,DrugBank,drug,N1C=CC(=N1)C1=CC(=NO1)C1=CC=CC=C1,DRUG_1859
1860,1860,1860,1860,1860,1860,1860,1860,DB07712,3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,DrugBank,drug,CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1,DRUG_1860
1861,1861,1861,1861,1861,1861,1861,1861,DB00492,Fosinopril,DrugBank,drug,CCC(=O)O[C@@H](OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C,DRUG_1861
1862,1862,1862,1862,1862,1862,1862,1862,DB12597,Asciminib,DrugBank,drug,O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1,DRUG_1862
1863,1863,1863,1863,1863,1863,1863,1863,DB16704,Durlobactam,DrugBank,drug,CC1=C[C@@H]2C[N@]([C@@H]1C(N)=O)C(=O)N2OS(O)(=O)=O,DRUG_1863
1864,1864,1864,1864,1864,1864,1864,1864,DB02932,(R)-Bicalutamide,DrugBank,drug,C[C@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,DRUG_1864
1865,1865,1865,1865,1865,1865,1865,1865,DB04273,"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine",DrugBank,drug,ClC1=CC=C2CCCNCC2=C1Cl,DRUG_1865
1866,1866,1866,1866,1866,1866,1866,1866,DB00597,Gadoteridol,DrugBank,drug,[Gd+3].CC(O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,DRUG_1866
1867,1867,1867,1867,1867,1867,1867,1867,DB07082,"1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL",DrugBank,drug,OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F,DRUG_1867
1868,1868,1868,1868,1868,1868,1868,1868,DB00465,Ketorolac,DrugBank,drug,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1,DRUG_1868
1869,1869,1869,1869,1869,1869,1869,1869,DB06856,6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE,DrugBank,drug,[H][C@]1(C)CCCC[C@]1([H])OC1=C(O)C(=CC=C1)C1=CC2=CC(C(N)=N)=C(F)C=C2N1,DRUG_1869
1870,1870,1870,1870,1870,1870,1870,1870,DB04856,Dexloxiglumide,DrugBank,drug,CCCCCN(CCCOC)C(=O)[C@@H](CCC(O)=O)NC(=O)C1=CC(Cl)=C(Cl)C=C1,DRUG_1870
1871,1871,1871,1871,1871,1871,1871,1871,DB02159,(R)-Propylene glycol,DrugBank,drug,C[C@@H](O)CO,DRUG_1871
1872,1872,1872,1872,1872,1872,1872,1872,DB01835,4R-Fluoro-N6-ethanimidoyl-L-lysine,DrugBank,drug,[H]N([H])[C@@H](C[C@@H](F)CC\N=C(/C)N([H])[H])C(O)=O,DRUG_1872
1873,1873,1873,1873,1873,1873,1873,1873,DB11928,Vosoritide,DrugBank,drug,,DRUG_1873
1874,1874,1874,1874,1874,1874,1874,1874,DB08890,Linaclotide,DrugBank,drug,[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,DRUG_1874
1875,1875,1875,1875,1875,1875,1875,1875,DB12097,Mannitol busulfan,DrugBank,drug,CS(=O)(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COS(C)(=O)=O,DRUG_1875
1876,1876,1876,1876,1876,1876,1876,1876,DB01723,"{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid",DrugBank,drug,[H][C@](CCC1=CC(OC)=C(OC)C=C1)(OC(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(CC)C1=CC(OC)=C(OC)C(OC)=C1)C1=CC(OCC(O)=O)=CC=C1,DRUG_1876
1877,1877,1877,1877,1877,1877,1877,1877,DB00080,Daptomycin,DrugBank,drug,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=CC=CC=C2N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O,DRUG_1877
1878,1878,1878,1878,1878,1878,1878,1878,DB06329,RG-7795,DrugBank,drug,CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1N1C(=O)SC2=CN=C(N)N=C12,DRUG_1878
1879,1879,1879,1879,1879,1879,1879,1879,DB04834,Rapacuronium,DrugBank,drug,[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1,DRUG_1879
1880,1880,1880,1880,1880,1880,1880,1880,DB04381,Crotonaldehyde,DrugBank,drug,[H]C(=O)\C=C\C,DRUG_1880
1881,1881,1881,1881,1881,1881,1881,1881,DB18214,Ibutamoren,DrugBank,drug,CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N1CCC2(CN(C3=CC=CC=C23)S(C)(=O)=O)CC1,DRUG_1881
1882,1882,1882,1882,1882,1882,1882,1882,DB07652,"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE",DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F,DRUG_1882
1883,1883,1883,1883,1883,1883,1883,1883,DB07205,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O,DRUG_1883
1884,1884,1884,1884,1884,1884,1884,1884,DB07345,4-(2-aminoethyl)-2-cyclohexylphenol,DrugBank,drug,NCCC1=CC=C(O)C(=C1)C1CCCCC1,DRUG_1884
1885,1885,1885,1885,1885,1885,1885,1885,DB15254,Avutometinib,DrugBank,drug,CNS(=O)(=O)NC1=C(F)C(CC2=C(C)C3=C(OC2=O)C=C(OC2=NC=CC=N2)C=C3)=CC=N1,DRUG_1885
1886,1886,1886,1886,1886,1886,1886,1886,DB05079,HY10275,DrugBank,drug,,DRUG_1886
1887,1887,1887,1887,1887,1887,1887,1887,DB00957,Norgestimate,DrugBank,drug,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O,DRUG_1887
1888,1888,1888,1888,1888,1888,1888,1888,DB12989,Neosaxitoxin,DrugBank,drug,[H][C@@]12N=C(N)N[C@]11N(CCC1(O)O)C(=N)N(O)[C@H]2COC(N)=O,DRUG_1888
1889,1889,1889,1889,1889,1889,1889,1889,DB08021,5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide,DrugBank,drug,ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1,DRUG_1889
1890,1890,1890,1890,1890,1890,1890,1890,DB11994,Diacerein,DrugBank,drug,CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O,DRUG_1890
1891,1891,1891,1891,1891,1891,1891,1891,DB18866,Nemtabrutinib,DrugBank,drug,OC[C@@H]1CC[C@H](CO1)NC1=C2C(NC=C2C(=O)C2=CC=C(OC3=CC=CC=C3)C=C2Cl)=NC=N1,DRUG_1891
1892,1892,1892,1892,1892,1892,1892,1892,DB14916,Selonsertib,DrugBank,drug,CC(C)N1C=NN=C1C1=CC=CC(NC(=O)C2=CC(N3C=NC(=C3)C3CC3)=C(C)C=C2F)=N1,DRUG_1892
1893,1893,1893,1893,1893,1893,1893,1893,DB06543,Astaxanthin,DrugBank,drug,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,DRUG_1893
1894,1894,1894,1894,1894,1894,1894,1894,DB01525,Ecgonine,DrugBank,drug,[H][C@]12CC[C@]([H])([C@H]([C@@H](O)C1)C(O)=O)N2C,DRUG_1894
1895,1895,1895,1895,1895,1895,1895,1895,DB10879,Arrhenatherum elatius pollen,DrugBank,drug,,DRUG_1895
1896,1896,1896,1896,1896,1896,1896,1896,DB04217,L-2-amino-3-butynoic acid,DrugBank,drug,N[C@@H](C#C)C(O)=O,DRUG_1896
1897,1897,1897,1897,1897,1897,1897,1897,DB14871,Xentuzumab,DrugBank,drug,,DRUG_1897
1898,1898,1898,1898,1898,1898,1898,1898,DB14724,Emapalumab,DrugBank,drug,,DRUG_1898
1899,1899,1899,1899,1899,1899,1899,1899,DB16157,Ensifentrine,DrugBank,drug,COC1=C(OC)C=C2C(CCN3C(=O)N(CCNC(N)=O)\C(C=C23)=N\C2=C(C)C=C(C)C=C2C)=C1,DRUG_1899
1900,1900,1900,1900,1900,1900,1900,1900,DB12825,Lefamulin,DrugBank,drug,[H][C@@]12C(=O)CC[C@]11CCC(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O,DRUG_1900
1901,1901,1901,1901,1901,1901,1901,1901,DB15404,"Heparin, bovine",DrugBank,drug,,DRUG_1901
1902,1902,1902,1902,1902,1902,1902,1902,DB02218,"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside",DrugBank,drug,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,DRUG_1902
1903,1903,1903,1903,1903,1903,1903,1903,DB06474,Sibrotuzumab,DrugBank,drug,,DRUG_1903
1904,1904,1904,1904,1904,1904,1904,1904,DB13624,Methoxyphenamine,DrugBank,drug,CNC(C)CC1=CC=CC=C1OC,DRUG_1904
1905,1905,1905,1905,1905,1905,1905,1905,DB13423,Ferric hydroxide,DrugBank,drug,[OH-].[OH-].[OH-].[Fe+3],DRUG_1905
1906,1906,1906,1906,1906,1906,1906,1906,DB08547,PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]12C)OC(=O)CCC(O)=O)C(C)=O,DRUG_1906
1907,1907,1907,1907,1907,1907,1907,1907,DB01168,Procarbazine,DrugBank,drug,CNNCC1=CC=C(C=C1)C(=O)NC(C)C,DRUG_1907
1908,1908,1908,1908,1908,1908,1908,1908,DB13623,Fabomotizole,DrugBank,drug,CCOC1=CC=C2NC(SCCN3CCOCC3)=NC2=C1,DRUG_1908
1909,1909,1909,1909,1909,1909,1909,1909,DB11621,Human varicella-zoster immune globulin,DrugBank,drug,,DRUG_1909
1910,1910,1910,1910,1910,1910,1910,1910,DB13914,Volixibat,DrugBank,drug,[H][C@@]1([C@@H](O)[C@](CC)(CCCC)CS(=O)(=O)C2=CC=C(C=C12)N(C)C)C1=CC=CC(NC(=O)N[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](OCC3=CC=CC=C3)[C@H]2O)=C1,DRUG_1910
1911,1911,1911,1911,1911,1911,1911,1911,DB06825,Triptorelin,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,DRUG_1911
1912,1912,1912,1912,1912,1912,1912,1912,DB15673,Lenacapavir,DrugBank,drug,[H][C@]12C[C@@]1([H])C(F)(F)C1=C2C(=NN1CC(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)C1=NC(=CC=C1C1=CC=C(Cl)C2=C1N(CC(F)(F)F)N=C2NS(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F,DRUG_1912
1913,1913,1913,1913,1913,1913,1913,1913,DB03019,"4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine",DrugBank,drug,NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1,DRUG_1913
1914,1914,1914,1914,1914,1914,1914,1914,DB14907,Bevacizumab zirconium Zr-89,DrugBank,drug,,DRUG_1914
1915,1915,1915,1915,1915,1915,1915,1915,DB06739,Seratrodast,DrugBank,drug,CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O,DRUG_1915
1916,1916,1916,1916,1916,1916,1916,1916,DB06097,GSK-923295,DrugBank,drug,,DRUG_1916
1917,1917,1917,1917,1917,1917,1917,1917,DB01990,Cholesterol sulfate,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C,DRUG_1917
1918,1918,1918,1918,1918,1918,1918,1918,DB09309,Kitasamycin,DrugBank,drug,CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C,DRUG_1918
1919,1919,1919,1919,1919,1919,1919,1919,DB13495,Paraoxon,DrugBank,drug,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_1919
1920,1920,1920,1920,1920,1920,1920,1920,DB09160,Technetium Tc-99m tetrofosmin,DrugBank,drug,O.O.[98Tc].CCOCCP(CCOCC)CCP(CCOCC)CCOCC.CCOCCP(CCOCC)CCP(CCOCC)CCOCC,DRUG_1920
1921,1921,1921,1921,1921,1921,1921,1921,DB05467,Palovarotene,DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2,DRUG_1921
1922,1922,1922,1922,1922,1922,1922,1922,DB07975,"2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=C(CCC1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC=CC(OC(F)(F)F)=C1,DRUG_1922
1923,1923,1923,1923,1923,1923,1923,1923,DB00403,Ceruletide,DrugBank,drug,[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,DRUG_1923
1924,1924,1924,1924,1924,1924,1924,1924,DB14619,Influenza A virus A/Uruguay/716/2007(H3N2) antigen (propiolactone inactivated),DrugBank,drug,,DRUG_1924
1925,1925,1925,1925,1925,1925,1925,1925,DB14026,Thiosalicylic acid,DrugBank,drug,OC(=O)C1=C(S)C=CC=C1,DRUG_1925
1926,1926,1926,1926,1926,1926,1926,1926,DB01401,Choline magnesium trisalicylate,DrugBank,drug,[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,DRUG_1926
1927,1927,1927,1927,1927,1927,1927,1927,DB08476,3-AMINO-AZACYCLOTRIDECAN-2-ONE,DrugBank,drug,[H][C@]1(N)CCCCCCCCCCNC1=O,DRUG_1927
1928,1928,1928,1928,1928,1928,1928,1928,DB07651,N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE,DrugBank,drug,[H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,DRUG_1928
1929,1929,1929,1929,1929,1929,1929,1929,DB07230,3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE,DrugBank,drug,OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O,DRUG_1929
1930,1930,1930,1930,1930,1930,1930,1930,DB06894,1-Dodecanol,DrugBank,drug,CCCCCCCCCCCCO,DRUG_1930
1931,1931,1931,1931,1931,1931,1931,1931,DB00248,Cabergoline,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC,DRUG_1931
1932,1932,1932,1932,1932,1932,1932,1932,DB07388,ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,DrugBank,drug,CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1,DRUG_1932
1933,1933,1933,1933,1933,1933,1933,1933,DB08891,Arbaclofen,DrugBank,drug,[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1,DRUG_1933
1934,1934,1934,1934,1934,1934,1934,1934,DB01745,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester,DrugBank,drug,COC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,DRUG_1934
1935,1935,1935,1935,1935,1935,1935,1935,DB00286,Conjugated estrogens,DrugBank,drug,,DRUG_1935
1936,1936,1936,1936,1936,1936,1936,1936,DB00599,Thiopental,DrugBank,drug,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,DRUG_1936
1937,1937,1937,1937,1937,1937,1937,1937,DB06285,Teriparatide,DrugBank,drug,,DRUG_1937
1938,1938,1938,1938,1938,1938,1938,1938,DB00235,Milrinone,DrugBank,drug,CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1,DRUG_1938
1939,1939,1939,1939,1939,1939,1939,1939,DB09330,Osimertinib,DrugBank,drug,COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,DRUG_1939
1940,1940,1940,1940,1940,1940,1940,1940,DB14652,Clocortolone acetate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@H](C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_1940
1941,1941,1941,1941,1941,1941,1941,1941,DB18795,Traxoprodil,DrugBank,drug,C[C@@H]([C@@H](O)C1=CC=C(O)C=C1)N1CCC(O)(CC1)C1=CC=CC=C1,DRUG_1941
1942,1942,1942,1942,1942,1942,1942,1942,DB08996,Dimetacrine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,DRUG_1942
1943,1943,1943,1943,1943,1943,1943,1943,DB00703,Methazolamide,DrugBank,drug,CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O,DRUG_1943
1944,1944,1944,1944,1944,1944,1944,1944,DB16828,MK-2206,DrugBank,drug,NC1(CCC1)C1=CC=C(C=C1)C1=NC2=C(C=C1C1=CC=CC=C1)C1=NNC(=O)N1C=C2,DRUG_1944
1945,1945,1945,1945,1945,1945,1945,1945,DB09161,Technetium Tc-99m sestamibi,DrugBank,drug,[Tc+].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-],DRUG_1945
1946,1946,1946,1946,1946,1946,1946,1946,DB08149,"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",DrugBank,drug,NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,DRUG_1946
1947,1947,1947,1947,1947,1947,1947,1947,DB12725,Felcisetrag,DrugBank,drug,COC(=O)N1CCC(CN2CCC(CNC(=O)C3=C4NC(=NC4=CC=C3)C(C)C)CC2)CC1,DRUG_1947
1948,1948,1948,1948,1948,1948,1948,1948,DB04232,N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide,DrugBank,drug,[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO,DRUG_1948
1949,1949,1949,1949,1949,1949,1949,1949,DB15458,Norleucine,DrugBank,drug,CCCC[C@H](N)C(O)=O,DRUG_1949
1950,1950,1950,1950,1950,1950,1950,1950,DB04071,Cpad,DrugBank,drug,NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,DRUG_1950
1951,1951,1951,1951,1951,1951,1951,1951,DB13987,Strontium chloride,DrugBank,drug,[Cl-].[Cl-].[Sr++],DRUG_1951
1952,1952,1952,1952,1952,1952,1952,1952,DB04065,N-Cyclopentyl-N-Cyclobutylformamide,DrugBank,drug,O=CN(C1CCC1)C1CCCC1,DRUG_1952
1953,1953,1953,1953,1953,1953,1953,1953,DB04070,6-Deoxyerythronolide B,DrugBank,drug,[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O,DRUG_1953
1954,1954,1954,1954,1954,1954,1954,1954,DB08520,"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE",DrugBank,drug,[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O,DRUG_1954
1955,1955,1955,1955,1955,1955,1955,1955,DB13020,Apratastat,DrugBank,drug,CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)C1=CC=C(OCC#CCO)C=C1,DRUG_1955
1956,1956,1956,1956,1956,1956,1956,1956,DB07932,"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",DrugBank,drug,[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_1956
1957,1957,1957,1957,1957,1957,1957,1957,DB00009,Alteplase,DrugBank,drug,,DRUG_1957
1958,1958,1958,1958,1958,1958,1958,1958,DB01606,Tazobactam,DrugBank,drug,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O,DRUG_1958
1959,1959,1959,1959,1959,1959,1959,1959,DB03292,3-Phosphono-D-alanine,DrugBank,drug,[H][C@@](N)(CP(O)(O)=O)C(O)=O,DRUG_1959
1960,1960,1960,1960,1960,1960,1960,1960,DB02306,Palmitoyl-Linoleoyl Phosphatidylcholine,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,DRUG_1960
1961,1961,1961,1961,1961,1961,1961,1961,DB02552,Geranyl Diphosphate,DrugBank,drug,CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,DRUG_1961
1962,1962,1962,1962,1962,1962,1962,1962,DB09244,Pirlindole,DrugBank,drug,CC1=CC=C2N3CCNC4CCCC(=C34)C2=C1,DRUG_1962
1963,1963,1963,1963,1963,1963,1963,1963,DB00966,Telmisartan,DrugBank,drug,CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O,DRUG_1963
1964,1964,1964,1964,1964,1964,1964,1964,DB00722,Lisinopril,DrugBank,drug,NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,DRUG_1964
1965,1965,1965,1965,1965,1965,1965,1965,DB01650,trans-2-hydroxycinnamic acid,DrugBank,drug,OC(=O)\C=C\C1=CC=CC=C1O,DRUG_1965
1966,1966,1966,1966,1966,1966,1966,1966,DB08004,"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol",DrugBank,drug,[H][C@](CO)(NC1=NN2C(C=C1)=NC=C2C1=CC(N)=CC=C1)C(C)C,DRUG_1966
1967,1967,1967,1967,1967,1967,1967,1967,DB11430,Monensin,DrugBank,drug,[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(CC)CC[C@@]([H])(O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@]([H])(O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C,DRUG_1967
1968,1968,1968,1968,1968,1968,1968,1968,DB11380,Cambendazole,DrugBank,drug,CC(C)OC(=O)NC1=CC2=C(NC(=N2)C2=CSC=N2)C=C1,DRUG_1968
1969,1969,1969,1969,1969,1969,1969,1969,DB08816,Ticagrelor,DrugBank,drug,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,DRUG_1969
1970,1970,1970,1970,1970,1970,1970,1970,DB16305,Xevinapant,DrugBank,drug,[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CC(C)C)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1970
1971,1971,1971,1971,1971,1971,1971,1971,DB01863,"Inositol 1,3,4,5-Tetrakisphosphate",DrugBank,drug,O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,DRUG_1971
1972,1972,1972,1972,1972,1972,1972,1972,DB00612,Bisoprolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1,DRUG_1972
1973,1973,1973,1973,1973,1973,1973,1973,DB07768,Epitestosterone,DrugBank,drug,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_1973
1974,1974,1974,1974,1974,1974,1974,1974,DB00744,Zileuton,DrugBank,drug,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1,DRUG_1974
1975,1975,1975,1975,1975,1975,1975,1975,DB04367,Debromohymenialdisine,DrugBank,drug,NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2,DRUG_1975
1976,1976,1976,1976,1976,1976,1976,1976,DB01233,Metoclopramide,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC,DRUG_1976
1977,1977,1977,1977,1977,1977,1977,1977,DB06604,Ilepatril,DrugBank,drug,[H][C@]12CCC[C@H](N1C(=O)[C@H](CC1=C2C=CC=C1)NC(=O)[C@@H](SC(C)=O)C(C)C)C(O)=O,DRUG_1977
1978,1978,1978,1978,1978,1978,1978,1978,DB08217,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",DrugBank,drug,CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O,DRUG_1978
1979,1979,1979,1979,1979,1979,1979,1979,DB02558,N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine,DrugBank,drug,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O,DRUG_1979
1980,1980,1980,1980,1980,1980,1980,1980,DB01078,Deslanoside,DrugBank,drug,C[C@H]1O[C@H](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)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1,DRUG_1980
1981,1981,1981,1981,1981,1981,1981,1981,DB19170,Pemrametostat,DrugBank,drug,CC(=O)N1CCC(CC1)NC1=CC(=NC=N1)C(=O)NC[C@H](O)CN1CCC2=CC=CC=C2C1,DRUG_1981
1982,1982,1982,1982,1982,1982,1982,1982,DB00071,Insulin pork,DrugBank,drug,,DRUG_1982
1983,1983,1983,1983,1983,1983,1983,1983,DB02432,RU90395,DrugBank,drug,COC(=O)C1=C(C=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=C1)C(F)(C(O)=O)C(O)=O,DRUG_1983
1984,1984,1984,1984,1984,1984,1984,1984,DB08799,Antazoline,DrugBank,drug,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1,DRUG_1984
1985,1985,1985,1985,1985,1985,1985,1985,DB12113,CE-224535,DrugBank,drug,COC[C@H](O)CN1C(=O)C=NN(C1=O)C1=CC=C(Cl)C(=C1)C(=O)NCC1(O)CCCCCC1,DRUG_1985
1986,1986,1986,1986,1986,1986,1986,1986,DB17256,Tarlatamab,DrugBank,drug,,DRUG_1986
1987,1987,1987,1987,1987,1987,1987,1987,DB01463,Fencamfamin,DrugBank,drug,CCNC1C2CCC(C2)C1C1=CC=CC=C1,DRUG_1987
1988,1988,1988,1988,1988,1988,1988,1988,DB02108,2-Aminoethanimidic Acid,DrugBank,drug,NCC=N,DRUG_1988
1989,1989,1989,1989,1989,1989,1989,1989,DB12339,Radezolid,DrugBank,drug,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1,DRUG_1989
1990,1990,1990,1990,1990,1990,1990,1990,DB01910,Sinefungin,DrugBank,drug,[H][C@](N)(CC[C@]([H])(N)C(O)=O)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_1990
1991,1991,1991,1991,1991,1991,1991,1991,DB09040,Efinaconazole,DrugBank,drug,C[C@@H](N1CCC(=C)CC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,DRUG_1991
1992,1992,1992,1992,1992,1992,1992,1992,DB11880,Acridine Carboxamide,DrugBank,drug,CN(C)CCNC(=O)C1=C2N=C3C=CC=CC3=CC2=CC=C1,DRUG_1992
1993,1993,1993,1993,1993,1993,1993,1993,DB03153,"3H-pyrazolo[4,3-d]pyrimidin-7-ol",DrugBank,drug,OC1=NC=NC2=C1N=NC2,DRUG_1993
1994,1994,1994,1994,1994,1994,1994,1994,DB06075,Linsitinib,DrugBank,drug,C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1,DRUG_1994
1995,1995,1995,1995,1995,1995,1995,1995,DB05513,Atiprimod,DrugBank,drug,CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1,DRUG_1995
1996,1996,1996,1996,1996,1996,1996,1996,DB04058,N-Carbamoylphenylalanine,DrugBank,drug,NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,DRUG_1996
1997,1997,1997,1997,1997,1997,1997,1997,DB07207,2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE,DrugBank,drug,NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1,DRUG_1997
1998,1998,1998,1998,1998,1998,1998,1998,DB04465,Lactose,DrugBank,drug,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,DRUG_1998
1999,1999,1999,1999,1999,1999,1999,1999,DB00950,Fexofenadine,DrugBank,drug,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_1999
2000,2000,2000,2000,2000,2000,2000,2000,DB11899,MK-8776,DrugBank,drug,CN1C=C(C=N1)C1=C2N=C([C@@H]3CCCNC3)C(Br)=C(N)N2N=C1,DRUG_2000
2001,2001,2001,2001,2001,2001,2001,2001,DB13347,Diphenadione,DrugBank,drug,O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)C1C(=O)C2=CC=CC=C2C1=O,DRUG_2001
2002,2002,2002,2002,2002,2002,2002,2002,DB08537,"3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine",DrugBank,drug,BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1,DRUG_2002
2003,2003,2003,2003,2003,2003,2003,2003,DB14669,Betamethasone phosphate,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2003
2004,2004,2004,2004,2004,2004,2004,2004,DB08152,{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate,DrugBank,drug,[H][C@@]1(COC(=O)CC2=CC(Cl)=CC=C2)CCCN1C(=O)CNC(=O)OC(C)(C)C,DRUG_2004
2005,2005,2005,2005,2005,2005,2005,2005,DB00715,Paroxetine,DrugBank,drug,FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1,DRUG_2005
2006,2006,2006,2006,2006,2006,2006,2006,DB02890,6-hydroxyuridine-5'-phosphate,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1O,DRUG_2006
2007,2007,2007,2007,2007,2007,2007,2007,DB07187,CP-744809,DrugBank,drug,CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1,DRUG_2007
2008,2008,2008,2008,2008,2008,2008,2008,DB01088,Iloprost,DrugBank,drug,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O,DRUG_2008
2009,2009,2009,2009,2009,2009,2009,2009,DB01059,Norfloxacin,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,DRUG_2009
2010,2010,2010,2010,2010,2010,2010,2010,DB04833,Methaqualone,DrugBank,drug,CC1=CC=CC=C1N1C(C)=NC2=CC=CC=C2C1=O,DRUG_2010
2011,2011,2011,2011,2011,2011,2011,2011,DB11894,Efatutazone,DrugBank,drug,CN1C(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)=NC2=CC=C(OC3=CC(C)=C(N)C(C)=C3)C=C12,DRUG_2011
2012,2012,2012,2012,2012,2012,2012,2012,DB10600,Influenza A virus A/California/7/2009 X-181 (H1N1) antigen (propiolactone inactivated),DrugBank,drug,,DRUG_2012
2013,2013,2013,2013,2013,2013,2013,2013,DB00844,Nalbuphine,DrugBank,drug,O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5,DRUG_2013
2014,2014,2014,2014,2014,2014,2014,2014,DB04188,MDL72527,DrugBank,drug,C=C=CCNCCCCNCC=C=C,DRUG_2014
2015,2015,2015,2015,2015,2015,2015,2015,DB12098,L-Baclofen,DrugBank,drug,NC[C@@H](CC(O)=O)C1=CC=C(Cl)C=C1,DRUG_2015
2016,2016,2016,2016,2016,2016,2016,2016,DB07940,"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE",DrugBank,drug,IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1,DRUG_2016
2017,2017,2017,2017,2017,2017,2017,2017,DB08406,"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE",DrugBank,drug,NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1,DRUG_2017
2018,2018,2018,2018,2018,2018,2018,2018,DB05137,Lobeline,DrugBank,drug,CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1,DRUG_2018
2019,2019,2019,2019,2019,2019,2019,2019,DB04996,Satraplatin,DrugBank,drug,N.[Cl-].[Cl-].[Pt+4].CC([O-])=O.CC([O-])=O.NC1CCCCC1,DRUG_2019
2020,2020,2020,2020,2020,2020,2020,2020,DB16053,ARRY-502,DrugBank,drug,COC1=CC(Cl)=CC=C1CCNC(=O)C1=CC=C(OC2=CC3=C(C=C2Cl)[C@H](CCO3)C(O)=O)C=C1,DRUG_2020
2021,2021,2021,2021,2021,2021,2021,2021,DB00055,Drotrecogin alfa,DrugBank,drug,,DRUG_2021
2022,2022,2022,2022,2022,2022,2022,2022,DB06642,Bevasiranib,DrugBank,drug,,DRUG_2022
2023,2023,2023,2023,2023,2023,2023,2023,DB02011,N-(Phosphonoacetyl)-L-Ornithine,DrugBank,drug,N[C@@H](CCCNC(=O)CP(O)(O)=O)C(O)=O,DRUG_2023
2024,2024,2024,2024,2024,2024,2024,2024,DB08447,3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL,DrugBank,drug,CN(C)CC1=CNC2=C1C=CC=C2CCCO,DRUG_2024
2025,2025,2025,2025,2025,2025,2025,2025,DB11832,Crenolanib,DrugBank,drug,CC1(COC2=CC=C3N(C=NC3=C2)C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)COC1,DRUG_2025
2026,2026,2026,2026,2026,2026,2026,2026,DB09268,Picosulfuric acid,DrugBank,drug,OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1,DRUG_2026
2027,2027,2027,2027,2027,2027,2027,2027,DB00929,Misoprostol,DrugBank,drug,CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,DRUG_2027
2028,2028,2028,2028,2028,2028,2028,2028,DB04619,Acetophenone,DrugBank,drug,CC(=O)C1=CC=CC=C1,DRUG_2028
2029,2029,2029,2029,2029,2029,2029,2029,DB01179,Podofilox,DrugBank,drug,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O,DRUG_2029
2030,2030,2030,2030,2030,2030,2030,2030,DB12900,Irdabisant,DrugBank,drug,C[C@@H]1CCCN1CCCOC1=CC=C(C=C1)C1=NNC(=O)C=C1,DRUG_2030
2031,2031,2031,2031,2031,2031,2031,2031,DB01559,Clotiazepam,DrugBank,drug,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl,DRUG_2031
2032,2032,2032,2032,2032,2032,2032,2032,DB12665,Isoquercetin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_2032
2033,2033,2033,2033,2033,2033,2033,2033,DB08396,"4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid",DrugBank,drug,OC(=O)CCCNC=C1N=C(OC1=O)C1=CC=CC=C1,DRUG_2033
2034,2034,2034,2034,2034,2034,2034,2034,DB03828,RU78299,DrugBank,drug,CC1=CC(C=O)=C(OP(O)(O)=O)C(C=O)=C1,DRUG_2034
2035,2035,2035,2035,2035,2035,2035,2035,DB08040,Kelatorphan,DrugBank,drug,C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O,DRUG_2035
2036,2036,2036,2036,2036,2036,2036,2036,DB02082,Phosphoaminophosphonic acid guanylate ester,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_2036
2037,2037,2037,2037,2037,2037,2037,2037,DB03450,Cephalothin Group,DrugBank,drug,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(CC(=O)OC)CS1,DRUG_2037
2038,2038,2038,2038,2038,2038,2038,2038,DB14906,Adafosbuvir,DrugBank,drug,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(O)[C@@H]1O)OC1=CC=CC=C1,DRUG_2038
2039,2039,2039,2039,2039,2039,2039,2039,DB16351,Volinanserin,DrugBank,drug,COC1=C(OC)C(=CC=C1)[C@H](O)C1CCN(CCC2=CC=C(F)C=C2)CC1,DRUG_2039
2040,2040,2040,2040,2040,2040,2040,2040,DB11455,Robenacoxib,DrugBank,drug,CCC1=CC(CC(O)=O)=C(NC2=C(F)C(F)=CC(F)=C2F)C=C1,DRUG_2040
2041,2041,2041,2041,2041,2041,2041,2041,DB06907,"2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE-6-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=CC2=C(C=C1)N=C(O2)C1=C(Cl)C=CC=C1Cl,DRUG_2041
2042,2042,2042,2042,2042,2042,2042,2042,DB07766,"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}",DrugBank,drug,[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO,DRUG_2042
2043,2043,2043,2043,2043,2043,2043,2043,DB01101,Capecitabine,DrugBank,drug,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O,DRUG_2043
2044,2044,2044,2044,2044,2044,2044,2044,DB01060,Amoxicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,DRUG_2044
2045,2045,2045,2045,2045,2045,2045,2045,DB03865,6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine,DrugBank,drug,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC(=C2O)C2=CC=CC=C2)C=C1Cl,DRUG_2045
2046,2046,2046,2046,2046,2046,2046,2046,DB08798,Sulfamoxole,DrugBank,drug,CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1,DRUG_2046
2047,2047,2047,2047,2047,2047,2047,2047,DB03348,Huperzine B,DrugBank,drug,[H][C@]12CCCN[C@]11CC(C)=C[C@H]2CC2=C1C=CC(=O)N2,DRUG_2047
2048,2048,2048,2048,2048,2048,2048,2048,DB03424,Ubenimex,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O,DRUG_2048
2049,2049,2049,2049,2049,2049,2049,2049,DB02112,Zk-806450,DrugBank,drug,CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1=CC=C3C=CC(=CC3=C1)C(N)=N)C1=C2C=CC=C1,DRUG_2049
2050,2050,2050,2050,2050,2050,2050,2050,DB07489,"4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium",DrugBank,drug,[H]N([H])C1=C(SC(N([H])C2=CC(Cl)=CC=C2)=[N+]1[H])C(=O)C1=CC=C(F)C=C1,DRUG_2050
2051,2051,2051,2051,2051,2051,2051,2051,DB11051,Azficel-T,DrugBank,drug,,DRUG_2051
2052,2052,2052,2052,2052,2052,2052,2052,DB07955,(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE,DrugBank,drug,NC1=CC(C=O)=C(CC(=O)OCCBr)C=C1,DRUG_2052
2053,2053,2053,2053,2053,2053,2053,2053,DB02299,Arginineamide,DrugBank,drug,N[C@@H](CCCNC(N)=[NH2+])C(N)=O,DRUG_2053
2054,2054,2054,2054,2054,2054,2054,2054,DB13384,Melitracen,DrugBank,drug,CN(C)CCC=C1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,DRUG_2054
2055,2055,2055,2055,2055,2055,2055,2055,DB05024,CTA018,DrugBank,drug,,DRUG_2055
2056,2056,2056,2056,2056,2056,2056,2056,DB11275,Epicriptine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@]([H])([C@H](C)CC)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,DRUG_2056
2057,2057,2057,2057,2057,2057,2057,2057,DB06304,BIIB015,DrugBank,drug,,DRUG_2057
2058,2058,2058,2058,2058,2058,2058,2058,DB09115,Diiodohydroxyquinoline,DrugBank,drug,OC1=C2N=CC=CC2=C(I)C=C1I,DRUG_2058
2059,2059,2059,2059,2059,2059,2059,2059,DB06810,Plicamycin,DrugBank,drug,CO[C@@H]([C@@H]1CC2=CC3=CC(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)=C(C)C(O)=C3C(O)=C2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O,DRUG_2059
2060,2060,2060,2060,2060,2060,2060,2060,DB03251,RWJ-51084,DrugBank,drug,[H]N([H])C(=NCCC[C@H](N([H])C(=O)C1CCCC1)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],DRUG_2060
2061,2061,2061,2061,2061,2061,2061,2061,DB15641,Droloxifene,DrugBank,drug,CC\C(=C(\C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC(O)=C1)C1=CC=CC=C1,DRUG_2061
2062,2062,2062,2062,2062,2062,2062,2062,DB05225,AM103,DrugBank,drug,,DRUG_2062
2063,2063,2063,2063,2063,2063,2063,2063,DB05201,V24343,DrugBank,drug,,DRUG_2063
2064,2064,2064,2064,2064,2064,2064,2064,DB04880,Enoximone,DrugBank,drug,CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1,DRUG_2064
2065,2065,2065,2065,2065,2065,2065,2065,DB03222,dATP,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,DRUG_2065
2066,2066,2066,2066,2066,2066,2066,2066,DB03429,Tetrastearoyl cardiolipin,DrugBank,drug,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,DRUG_2066
2067,2067,2067,2067,2067,2067,2067,2067,DB01587,Ketazolam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1,DRUG_2067
2068,2068,2068,2068,2068,2068,2068,2068,DB06826,Unoprostone,DrugBank,drug,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_2068
2069,2069,2069,2069,2069,2069,2069,2069,DB01306,Insulin aspart,DrugBank,drug,,DRUG_2069
2070,2070,2070,2070,2070,2070,2070,2070,DB05191,Atl146e,DrugBank,drug,,DRUG_2070
2071,2071,2071,2071,2071,2071,2071,2071,DB00303,Ertapenem,DrugBank,drug,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,DRUG_2071
2072,2072,2072,2072,2072,2072,2072,2072,DB13951,Stanolone acetate,DrugBank,drug,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,DRUG_2072
2073,2073,2073,2073,2073,2073,2073,2073,DB14069,ONT-093,DrugBank,drug,[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1,DRUG_2073
2074,2074,2074,2074,2074,2074,2074,2074,DB17023,ABT-737,DrugBank,drug,CN(C)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(C=C1[N+]([O-])=O)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2C2=CC=C(Cl)C=C2)CC1,DRUG_2074
2075,2075,2075,2075,2075,2075,2075,2075,DB06333,Trodusquemine,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C,DRUG_2075
2076,2076,2076,2076,2076,2076,2076,2076,DB00980,Ramelteon,DrugBank,drug,CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2,DRUG_2076
2077,2077,2077,2077,2077,2077,2077,2077,DB02723,"4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide",DrugBank,drug,O\N=C(/N)N1CCC(CC1)CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)CC1=CC=CC=C1,DRUG_2077
2078,2078,2078,2078,2078,2078,2078,2078,DB08301,N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE,DrugBank,drug,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1=CC=C(C=C1)S(N)(=O)=O,DRUG_2078
2079,2079,2079,2079,2079,2079,2079,2079,DB01034,Cerulenin,DrugBank,drug,[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O,DRUG_2079
2080,2080,2080,2080,2080,2080,2080,2080,DB08020,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",DrugBank,drug,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,DRUG_2080
2081,2081,2081,2081,2081,2081,2081,2081,DB00052,Somatotropin,DrugBank,drug,,DRUG_2081
2082,2082,2082,2082,2082,2082,2082,2082,DB02975,GE-2270A,DrugBank,drug,[H][C@]1(NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC(=N2)[C@H](CC(=O)NC)NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC1=N2)C1=NC(=CS1)C1=N[C@@H](CO1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](O)C1=CC=CC=C1,DRUG_2082
2083,2083,2083,2083,2083,2083,2083,2083,DB00209,Trospium,DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1,DRUG_2083
2084,2084,2084,2084,2084,2084,2084,2084,DB02353,Heparin Disaccharide Iii-S,DrugBank,drug,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,DRUG_2084
2085,2085,2085,2085,2085,2085,2085,2085,DB00110,Palivizumab,DrugBank,drug,,DRUG_2085
2086,2086,2086,2086,2086,2086,2086,2086,DB04982,Talampanel,DrugBank,drug,C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1,DRUG_2086
2087,2087,2087,2087,2087,2087,2087,2087,DB11666,Buparlisib,DrugBank,drug,NC1=CC(=C(C=N1)C1=NC(=NC(=C1)N1CCOCC1)N1CCOCC1)C(F)(F)F,DRUG_2087
2088,2088,2088,2088,2088,2088,2088,2088,DB12857,NVP-LEQ-506,DrugBank,drug,C[C@@H]1CN(CCN1C1=CN=C(C=N1)C(C)(C)O)C1=NN=C(CC2=CC=CC=C2)C(C)=C1C,DRUG_2088
2089,2089,2089,2089,2089,2089,2089,2089,DB12689,Azeliragon,DrugBank,drug,CCCCC1=NC(=CN1C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1)C1=CC=C(OCCCN(CC)CC)C=C1,DRUG_2089
2090,2090,2090,2090,2090,2090,2090,2090,DB11957,Idalopirdine,DrugBank,drug,FC(F)C(F)(F)COC1=CC=CC(CNCCC2=CNC3=CC(F)=CC=C23)=C1,DRUG_2090
2091,2091,2091,2091,2091,2091,2091,2091,DB12234,BMS-214662,DrugBank,drug,[H][C@@]1(CC2=CC=CC=C2)CN(CC2=CN=CN2)C2=C(CN1S(=O)(=O)C1=CC=CS1)C=C(C=C2)C#N,DRUG_2091
2092,2092,2092,2092,2092,2092,2092,2092,DB00499,Flutamide,DrugBank,drug,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,DRUG_2092
2093,2093,2093,2093,2093,2093,2093,2093,DB01405,Temafloxacin,DrugBank,drug,CC1CN(CCN1)C1=C(F)C=C2C(=O)C(=CN(C2=C1)C1=C(F)C=C(F)C=C1)C(O)=O,DRUG_2093
2094,2094,2094,2094,2094,2094,2094,2094,DB11950,Teneligliptin,DrugBank,drug,[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCSC1)N1CCN(CC1)C1=CC(C)=NN1C1=CC=CC=C1,DRUG_2094
2095,2095,2095,2095,2095,2095,2095,2095,DB02964,"8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one",DrugBank,drug,OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_2095
2096,2096,2096,2096,2096,2096,2096,2096,DB07514,"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one",DrugBank,drug,CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1,DRUG_2096
2097,2097,2097,2097,2097,2097,2097,2097,DB03987,"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",DrugBank,drug,COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1,DRUG_2097
2098,2098,2098,2098,2098,2098,2098,2098,DB12157,Fasinumab,DrugBank,drug,,DRUG_2098
2099,2099,2099,2099,2099,2099,2099,2099,DB05490,AMG-131,DrugBank,drug,ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1,DRUG_2099
2100,2100,2100,2100,2100,2100,2100,2100,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",DrugBank,drug,[H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1,DRUG_2100
2101,2101,2101,2101,2101,2101,2101,2101,DB02285,Protoporphyrin,DrugBank,drug,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,DRUG_2101
2102,2102,2102,2102,2102,2102,2102,2102,DB03455,(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid,DrugBank,drug,[H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2,DRUG_2102
2103,2103,2103,2103,2103,2103,2103,2103,DB00035,Desmopressin,DrugBank,drug,NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O,DRUG_2103
2104,2104,2104,2104,2104,2104,2104,2104,DB00128,Aspartic acid,DrugBank,drug,N[C@@H](CC(O)=O)C(O)=O,DRUG_2104
2105,2105,2105,2105,2105,2105,2105,2105,DB07618,"2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE",DrugBank,drug,NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1,DRUG_2105
2106,2106,2106,2106,2106,2106,2106,2106,DB03825,Rhodamine 6G,DrugBank,drug,[Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C,DRUG_2106
2107,2107,2107,2107,2107,2107,2107,2107,DB05080,OBE101,DrugBank,drug,,DRUG_2107
2108,2108,2108,2108,2108,2108,2108,2108,DB11853,Relugolix,DrugBank,drug,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)C)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=C(OC)N=N1,DRUG_2108
2109,2109,2109,2109,2109,2109,2109,2109,DB08794,Ethyl biscoumacetate,DrugBank,drug,CCOC(=O)C(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O,DRUG_2109
2110,2110,2110,2110,2110,2110,2110,2110,DB08892,Arbaclofen Placarbil,DrugBank,drug,CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C,DRUG_2110
2111,2111,2111,2111,2111,2111,2111,2111,DB12750,N-omega-nitro-L-arginine methyl ester,DrugBank,drug,COC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O,DRUG_2111
2112,2112,2112,2112,2112,2112,2112,2112,DB00713,Oxacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O,DRUG_2112
2113,2113,2113,2113,2113,2113,2113,2113,DB13831,Potassium permanganate,DrugBank,drug,[K+].[O-][Mn](=O)(=O)=O,DRUG_2113
2114,2114,2114,2114,2114,2114,2114,2114,DB15035,Zanubrutinib,DrugBank,drug,NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_2114
2115,2115,2115,2115,2115,2115,2115,2115,DB00707,Porfimer sodium,DrugBank,drug,,DRUG_2115
2116,2116,2116,2116,2116,2116,2116,2116,DB12499,Clascoterone,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_2116
2117,2117,2117,2117,2117,2117,2117,2117,DB02955,Ricinoleic acid,DrugBank,drug,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O,DRUG_2117
2118,2118,2118,2118,2118,2118,2118,2118,DB01229,Paclitaxel,DrugBank,drug,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C,DRUG_2118
2119,2119,2119,2119,2119,2119,2119,2119,DB07404,BPH-608,DrugBank,drug,OC(CC1=CC=CC(=C1)C1=CC(=CC=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_2119
2120,2120,2120,2120,2120,2120,2120,2120,DB06412,Oxymetholone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O,DRUG_2120
2121,2121,2121,2121,2121,2121,2121,2121,DB09351,Levobetaxolol,DrugBank,drug,CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1,DRUG_2121
2122,2122,2122,2122,2122,2122,2122,2122,DB01675,Methacrylyl-Coenzyme A,DrugBank,drug,CC(=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]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_2122
2123,2123,2123,2123,2123,2123,2123,2123,DB13810,Dimemorfan,DrugBank,drug,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC1=CC=C(C)C=C31,DRUG_2123
2124,2124,2124,2124,2124,2124,2124,2124,DB04953,Ezogabine,DrugBank,drug,CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1,DRUG_2124
2125,2125,2125,2125,2125,2125,2125,2125,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",DrugBank,drug,[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1,DRUG_2125
2126,2126,2126,2126,2126,2126,2126,2126,DB09220,Nicorandil,DrugBank,drug,[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1,DRUG_2126
2127,2127,2127,2127,2127,2127,2127,2127,DB08872,Gabapentin enacarbil,DrugBank,drug,CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1,DRUG_2127
2128,2128,2128,2128,2128,2128,2128,2128,DB13679,Dexchlorpheniramine,DrugBank,drug,CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=NC=CC=C1,DRUG_2128
2129,2129,2129,2129,2129,2129,2129,2129,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",DrugBank,drug,[H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1,DRUG_2129
2130,2130,2130,2130,2130,2130,2130,2130,DB12392,Resminostat,DrugBank,drug,CN(C)CC1=CC=C(C=C1)S(=O)(=O)N1C=CC(\C=C\C(=O)NO)=C1,DRUG_2130
2131,2131,2131,2131,2131,2131,2131,2131,DB03306,RU78300,DrugBank,drug,COC1=CC=CC(C=O)=C1OP(O)(O)=O,DRUG_2131
2132,2132,2132,2132,2132,2132,2132,2132,DB05199,LX1031,DrugBank,drug,,DRUG_2132
2133,2133,2133,2133,2133,2133,2133,2133,DB08947,Iopamidol,DrugBank,drug,C[C@H](O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(=O)NC(CO)CO)=C1I,DRUG_2133
2134,2134,2134,2134,2134,2134,2134,2134,DB09139,Technetium Tc-99m oxidronate,DrugBank,drug,[99Tc].OC(P(O)(O)=O)P(O)(O)=O,DRUG_2134
2135,2135,2135,2135,2135,2135,2135,2135,DB01339,Vecuronium,DrugBank,drug,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1,DRUG_2135
2136,2136,2136,2136,2136,2136,2136,2136,DB09296,Ombitasvir,DrugBank,drug,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1,DRUG_2136
2137,2137,2137,2137,2137,2137,2137,2137,DB00937,Diethylpropion,DrugBank,drug,CCN(CC)C(C)C(=O)C1=CC=CC=C1,DRUG_2137
2138,2138,2138,2138,2138,2138,2138,2138,DB08463,(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol,DrugBank,drug,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1,DRUG_2138
2139,2139,2139,2139,2139,2139,2139,2139,DB06194,Elocalcitol,DrugBank,drug,CCC(O)(CC)\C=C\C[C@H](C)C1=CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@](F)([H])C1=C,DRUG_2139
2140,2140,2140,2140,2140,2140,2140,2140,DB14482,Sodium ascorbate,DrugBank,drug,[Na+].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,DRUG_2140
2141,2141,2141,2141,2141,2141,2141,2141,DB05085,TM30339,DrugBank,drug,,DRUG_2141
2142,2142,2142,2142,2142,2142,2142,2142,DB11175,Zinc picolinate,DrugBank,drug,[Zn++].[O-]C(=O)C1=CC=CC=N1.[O-]C(=O)C1=CC=CC=N1,DRUG_2142
2143,2143,2143,2143,2143,2143,2143,2143,DB00189,Ethchlorvynol,DrugBank,drug,CCC(O)(\C=C\Cl)C#C,DRUG_2143
2144,2144,2144,2144,2144,2144,2144,2144,DB15106,Surufatinib,DrugBank,drug,CN(C)CCNS(=O)(=O)CC1=CC(NC2=NC(OC3=CC4=C(NC(C)=C4)C=C3)=CC=N2)=CC=C1,DRUG_2144
2145,2145,2145,2145,2145,2145,2145,2145,DB03585,Oxyphenbutazone,DrugBank,drug,CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1,DRUG_2145
2146,2146,2146,2146,2146,2146,2146,2146,DB02271,S-(2-oxo)pentadecylcoa,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_2146
2147,2147,2147,2147,2147,2147,2147,2147,DB00447,Loracarbef,DrugBank,drug,N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,DRUG_2147
2148,2148,2148,2148,2148,2148,2148,2148,DB15328,Ubrogepant,DrugBank,drug,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1,DRUG_2148
2149,2149,2149,2149,2149,2149,2149,2149,DB07382,"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine",DrugBank,drug,C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1,DRUG_2149
2150,2150,2150,2150,2150,2150,2150,2150,DB04599,Aniracetam,DrugBank,drug,COC1=CC=C(C=C1)C(=O)N1CCCC1=O,DRUG_2150
2151,2151,2151,2151,2151,2151,2151,2151,DB08564,(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide,DrugBank,drug,CN(C)C\C=C\C(=O)NC1=CC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1,DRUG_2151
2152,2152,2152,2152,2152,2152,2152,2152,DB08176,(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE,DrugBank,drug,[H]N=C([H])C(=C)CCC1=CC=C(F)C=C1,DRUG_2152
2153,2153,2153,2153,2153,2153,2153,2153,DB05006,Adecatumumab,DrugBank,drug,,DRUG_2153
2154,2154,2154,2154,2154,2154,2154,2154,DB07131,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_2154
2155,2155,2155,2155,2155,2155,2155,2155,DB07248,"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE",DrugBank,drug,COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC,DRUG_2155
2156,2156,2156,2156,2156,2156,2156,2156,DB00809,Tropicamide,DrugBank,drug,CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1,DRUG_2156
2157,2157,2157,2157,2157,2157,2157,2157,DB08061,4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE,DrugBank,drug,ClC1=CC=C(C=C1)C1=NNC(=C1)C1CCNCC1,DRUG_2157
2158,2158,2158,2158,2158,2158,2158,2158,DB07876,(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE,DrugBank,drug,[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1,DRUG_2158
2159,2159,2159,2159,2159,2159,2159,2159,DB00719,Azatadine,DrugBank,drug,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2,DRUG_2159
2160,2160,2160,2160,2160,2160,2160,2160,DB07410,[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID,DrugBank,drug,OC(CC1=CC(=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_2160
2161,2161,2161,2161,2161,2161,2161,2161,DB03083,IC261,DrugBank,drug,COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1,DRUG_2161
2162,2162,2162,2162,2162,2162,2162,2162,DB00786,Marimastat,DrugBank,drug,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,DRUG_2162
2163,2163,2163,2163,2163,2163,2163,2163,DB01217,Anastrozole,DrugBank,drug,CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N,DRUG_2163
2164,2164,2164,2164,2164,2164,2164,2164,DB14543,Hydrocortisone probutate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_2164
2165,2165,2165,2165,2165,2165,2165,2165,DB06630,Anacetrapib,DrugBank,drug,COC1=CC(F)=C(C=C1C1=CC=C(C=C1CN1[C@@H](C)[C@H](OC1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C,DRUG_2165
2166,2166,2166,2166,2166,2166,2166,2166,DB08992,Eperisone,DrugBank,drug,CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1,DRUG_2166
2167,2167,2167,2167,2167,2167,2167,2167,DB06042,ZEN-012,DrugBank,drug,,DRUG_2167
2168,2168,2168,2168,2168,2168,2168,2168,DB17873,Depelestat,DrugBank,drug,,DRUG_2168
2169,2169,2169,2169,2169,2169,2169,2169,DB08917,Ferric carboxymaltose,DrugBank,drug,,DRUG_2169
2170,2170,2170,2170,2170,2170,2170,2170,DB07950,Indoleacetic acid,DrugBank,drug,OC(=O)CC1=CNC2=CC=CC=C12,DRUG_2170
2171,2171,2171,2171,2171,2171,2171,2171,DB05192,MB07811,DrugBank,drug,,DRUG_2171
2172,2172,2172,2172,2172,2172,2172,2172,DB09077,Dinutuximab,DrugBank,drug,,DRUG_2172
2173,2173,2173,2173,2173,2173,2173,2173,DB07470,"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DrugBank,drug,O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1,DRUG_2173
2174,2174,2174,2174,2174,2174,2174,2174,DB06937,"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL",DrugBank,drug,OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1,DRUG_2174
2175,2175,2175,2175,2175,2175,2175,2175,DB06233,Ridaforolimus,DrugBank,drug,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O,DRUG_2175
2176,2176,2176,2176,2176,2176,2176,2176,DB00410,Mupirocin,DrugBank,drug,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O,DRUG_2176
2177,2177,2177,2177,2177,2177,2177,2177,DB03606,(S)-Rolipram,DrugBank,drug,[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1,DRUG_2177
2178,2178,2178,2178,2178,2178,2178,2178,DB02966,Fluoro-Willardiine,DrugBank,drug,N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O,DRUG_2178
2179,2179,2179,2179,2179,2179,2179,2179,DB16968,SRX-246,DrugBank,drug,C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\C2=CC=CC=C2)[C@H](N2[C@H](COC2=O)C2=CC=CC=C2)C1=O)C1=CC=CC=C1,DRUG_2179
2180,2180,2180,2180,2180,2180,2180,2180,DB01629,5-fluorouridine,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,DRUG_2180
2181,2181,2181,2181,2181,2181,2181,2181,DB04338,SB220025,DrugBank,drug,NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1,DRUG_2181
2182,2182,2182,2182,2182,2182,2182,2182,DB05239,Cobimetinib,DrugBank,drug,OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1,DRUG_2182
2183,2183,2183,2183,2183,2183,2183,2183,DB11462,Sulfaethoxypyridazine,DrugBank,drug,CCOC1=CC=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=N1,DRUG_2183
2184,2184,2184,2184,2184,2184,2184,2184,DB15633,Pabinafusp alfa,DrugBank,drug,,DRUG_2184
2185,2185,2185,2185,2185,2185,2185,2185,DB13559,Rimiterol,DrugBank,drug,O[C@@H]([C@@H]1CCCCN1)C1=CC(O)=C(O)C=C1,DRUG_2185
2186,2186,2186,2186,2186,2186,2186,2186,DB08333,4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,DrugBank,drug,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1,DRUG_2186
2187,2187,2187,2187,2187,2187,2187,2187,DB13058,Methanesulfonyl Fluoride,DrugBank,drug,CS(F)(=O)=O,DRUG_2187
2188,2188,2188,2188,2188,2188,2188,2188,DB14004,Tildrakizumab,DrugBank,drug,,DRUG_2188
2189,2189,2189,2189,2189,2189,2189,2189,DB13663,Clofenamide,DrugBank,drug,NS(=O)(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,DRUG_2189
2190,2190,2190,2190,2190,2190,2190,2190,DB01858,[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate,DrugBank,drug,[H][C@@](CCCC)(NC(=O)OCC1(CC2=CC=C(F)C=C2)CCC1)C(=O)C(=O)NC1=CC=NN1,DRUG_2190
2191,2191,2191,2191,2191,2191,2191,2191,DB09153,Sodium chloride,DrugBank,drug,[Na+].[Cl-],DRUG_2191
2192,2192,2192,2192,2192,2192,2192,2192,DB12823,Tecarfarin,DrugBank,drug,CC(OC(=O)C1=CC=C(CC2=C(O)C3=CC=CC=C3OC2=O)C=C1)(C(F)(F)F)C(F)(F)F,DRUG_2192
2193,2193,2193,2193,2193,2193,2193,2193,DB16193,Tovinontrine,DrugBank,drug,C[C@@H]1CN(CC2=NC=CC=N2)C[C@H]1C1=CN2C(=NC=C2C(=O)N1)C1CCOCC1,DRUG_2193
2194,2194,2194,2194,2194,2194,2194,2194,DB13410,Guanoxabenz,DrugBank,drug,ONC(=N)N\N=C\C1=C(Cl)C=CC=C1Cl,DRUG_2194
2195,2195,2195,2195,2195,2195,2195,2195,DB02587,Colforsin,DrugBank,drug,[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C,DRUG_2195
2196,2196,2196,2196,2196,2196,2196,2196,DB08503,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",DrugBank,drug,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC=C(C)C=C1,DRUG_2196
2197,2197,2197,2197,2197,2197,2197,2197,DB06137,Tirbanibulin,DrugBank,drug,O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1,DRUG_2197
2198,2198,2198,2198,2198,2198,2198,2198,DB08048,"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL",DrugBank,drug,OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1,DRUG_2198
2199,2199,2199,2199,2199,2199,2199,2199,DB12916,Mitolactol,DrugBank,drug,O[C@@H](CBr)[C@@H](O)[C@@H](O)[C@H](O)CBr,DRUG_2199
2200,2200,2200,2200,2200,2200,2200,2200,DB04643,"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID",DrugBank,drug,OC(=O)CCCOC1=CC=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1,DRUG_2200
2201,2201,2201,2201,2201,2201,2201,2201,DB06305,Sonepcizumab,DrugBank,drug,,DRUG_2201
2202,2202,2202,2202,2202,2202,2202,2202,DB16218,Lerociclib,DrugBank,drug,CC(C)N1CCN(CC1)C1=CC=C(NC2=NC=C3C=C4N(C3=N2)C2(CCCCC2)CNC4=O)N=C1,DRUG_2202
2203,2203,2203,2203,2203,2203,2203,2203,DB06230,Nalmefene,DrugBank,drug,OC1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](OC1=C24)C(=C)CC[C@@]35O,DRUG_2203
2204,2204,2204,2204,2204,2204,2204,2204,DB07931,Hexestrol,DrugBank,drug,[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1,DRUG_2204
2205,2205,2205,2205,2205,2205,2205,2205,DB02026,"Furo[2,3d]Pyrimidine Antifolate",DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=COC2=NC(N)=NC(N)=C12)C(O)=O,DRUG_2205
2206,2206,2206,2206,2206,2206,2206,2206,DB01239,Chlorprothixene,DrugBank,drug,CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12,DRUG_2206
2207,2207,2207,2207,2207,2207,2207,2207,DB13370,Bromisoval,DrugBank,drug,CC(C)C(Br)C(=O)NC(N)=O,DRUG_2207
2208,2208,2208,2208,2208,2208,2208,2208,DB14631,Prednisolone phosphate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2208
2209,2209,2209,2209,2209,2209,2209,2209,DB11818,Retosiban,DrugBank,drug,CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)C2=COC(C)=N2)C(=O)[C@H](NC1=O)C1CC2=CC=CC=C2C1,DRUG_2209
2210,2210,2210,2210,2210,2210,2210,2210,DB00732,Atracurium besylate,DrugBank,drug,[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C=C1)[N+](C)(CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCC3=C(C=C(OC)C(OC)=C3)C1CC1=CC(OC)=C(OC)C=C1)CC2,DRUG_2210
2211,2211,2211,2211,2211,2211,2211,2211,DB07664,K-00546,DrugBank,drug,NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F,DRUG_2211
2212,2212,2212,2212,2212,2212,2212,2212,DB00723,Methoxamine,DrugBank,drug,COC1=CC(C(O)C(C)N)=C(OC)C=C1,DRUG_2212
2213,2213,2213,2213,2213,2213,2213,2213,DB12305,Dasotraline,DrugBank,drug,N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12,DRUG_2213
2214,2214,2214,2214,2214,2214,2214,2214,DB11117,Undecylenic acid,DrugBank,drug,OC(=O)CCCCCCCCC=C,DRUG_2214
2215,2215,2215,2215,2215,2215,2215,2215,DB00523,Alitretinoin,DrugBank,drug,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O,DRUG_2215
2216,2216,2216,2216,2216,2216,2216,2216,DB16038,PLX8394,DrugBank,drug,F[C@@H]1CCN(C1)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=C(N=C2)C2CC2)=C1F,DRUG_2216
2217,2217,2217,2217,2217,2217,2217,2217,DB09280,Lumacaftor,DrugBank,drug,CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O,DRUG_2217
2218,2218,2218,2218,2218,2218,2218,2218,DB01094,Hesperetin,DrugBank,drug,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1,DRUG_2218
2219,2219,2219,2219,2219,2219,2219,2219,DB06049,IPH 2101,DrugBank,drug,,DRUG_2219
2220,2220,2220,2220,2220,2220,2220,2220,DB02320,N-beta-D-glucopyranosylacetamide,DrugBank,drug,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O,DRUG_2220
2221,2221,2221,2221,2221,2221,2221,2221,DB08180,2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE,DrugBank,drug,CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,DRUG_2221
2222,2222,2222,2222,2222,2222,2222,2222,DB08488,"4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE",DrugBank,drug,ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1,DRUG_2222
2223,2223,2223,2223,2223,2223,2223,2223,DB15192,ABT-288,DrugBank,drug,CN1C[C@H]2CCN([C@H]2C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N1N=CC=CC1=O,DRUG_2223
2224,2224,2224,2224,2224,2224,2224,2224,DB12551,Idazoxan,DrugBank,drug,C1CN=C(N1)C1COC2=CC=CC=C2O1,DRUG_2224
2225,2225,2225,2225,2225,2225,2225,2225,DB07251,"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE",DrugBank,drug,COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC,DRUG_2225
2226,2226,2226,2226,2226,2226,2226,2226,DB03664,P1-(adenosine-5'-P5-(uridine-5')pentaphosphate,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=CC(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_2226
2227,2227,2227,2227,2227,2227,2227,2227,DB00255,Diethylstilbestrol,DrugBank,drug,CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_2227
2228,2228,2228,2228,2228,2228,2228,2228,DB01117,Atovaquone,DrugBank,drug,OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O,DRUG_2228
2229,2229,2229,2229,2229,2229,2229,2229,DB01689,Inhibitor Idd 384,DrugBank,drug,CC1=CC=CC=C1CC(=O)NC1=CC(C)=C(C(C)=C1)S(=O)(=O)NCC(O)=O,DRUG_2229
2230,2230,2230,2230,2230,2230,2230,2230,DB07428,4-[(5-methoxy-2-methylphenoxy)methyl]pyridine,DrugBank,drug,COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1,DRUG_2230
2231,2231,2231,2231,2231,2231,2231,2231,DB18963,Mitiperstat,DrugBank,drug,C[C@@H](N)C1=CC(Cl)=CC=C1CN1C2=C(NC=C2)C(=O)NC1=S,DRUG_2231
2232,2232,2232,2232,2232,2232,2232,2232,DB12035,Sarecycline,DrugBank,drug,[H][C@@]12CC3=C(CN(C)OC)C=CC(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,DRUG_2232
2233,2233,2233,2233,2233,2233,2233,2233,DB03253,(2s)-Pyrrolidin-2-Ylmethylamine,DrugBank,drug,NC[C@@H]1CCCN1,DRUG_2233
2234,2234,2234,2234,2234,2234,2234,2234,DB06918,2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE,DrugBank,drug,CC1=CC=CC=C1C1=CC2=C(N1)C=C(C=C2)C(N)=N,DRUG_2234
2235,2235,2235,2235,2235,2235,2235,2235,DB07686,"4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1,DRUG_2235
2236,2236,2236,2236,2236,2236,2236,2236,DB13693,Sulbenicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@@H](C1=CC=CC=C1)S(O)(=O)=O)C(O)=O,DRUG_2236
2237,2237,2237,2237,2237,2237,2237,2237,DB15277,Gedivumab,DrugBank,drug,,DRUG_2237
2238,2238,2238,2238,2238,2238,2238,2238,DB07859,4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE,DrugBank,drug,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1,DRUG_2238
2239,2239,2239,2239,2239,2239,2239,2239,DB13993,MRK-409,DrugBank,drug,CN1N=CN=C1COC1=NN2C(C=C1C1CCC1)=NN=C2C1=C(F)C=CC=C1F,DRUG_2239
2240,2240,2240,2240,2240,2240,2240,2240,DB07005,D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=[NH2+],DRUG_2240
2241,2241,2241,2241,2241,2241,2241,2241,DB00118,Ademetionine,DrugBank,drug,C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,DRUG_2241
2242,2242,2242,2242,2242,2242,2242,2242,DB12279,OBP-801,DrugBank,drug,CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O,DRUG_2242
2243,2243,2243,2243,2243,2243,2243,2243,DB09031,Miltefosine,DrugBank,drug,CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C,DRUG_2243
2244,2244,2244,2244,2244,2244,2244,2244,DB07493,5-Bromoindirubin,DrugBank,drug,[H]N1C(=O)\C(C2=C1C=CC(Br)=C2)=C1/N([H])C2=CC=CC=C2C1=O,DRUG_2244
2245,2245,2245,2245,2245,2245,2245,2245,DB02375,Myricetin,DrugBank,drug,OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1,DRUG_2245
2246,2246,2246,2246,2246,2246,2246,2246,DB05956,EVT-101,DrugBank,drug,Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F,DRUG_2246
2247,2247,2247,2247,2247,2247,2247,2247,DB12232,KRN-7000,DrugBank,drug,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC,DRUG_2247
2248,2248,2248,2248,2248,2248,2248,2248,DB03621,"L-709,587",DrugBank,drug,[H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC,DRUG_2248
2249,2249,2249,2249,2249,2249,2249,2249,DB01604,Pivampicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C,DRUG_2249
2250,2250,2250,2250,2250,2250,2250,2250,DB04920,Clevidipine,DrugBank,drug,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC,DRUG_2250
2251,2251,2251,2251,2251,2251,2251,2251,DB13554,Moperone,DrugBank,drug,CC1=CC=C(C=C1)C1(O)CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,DRUG_2251
2252,2252,2252,2252,2252,2252,2252,2252,DB14146,Loxicodegol,DrugBank,drug,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC,DRUG_2252
2253,2253,2253,2253,2253,2253,2253,2253,DB03059,Acetoacetyl-CoA,DrugBank,drug,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]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_2253
2254,2254,2254,2254,2254,2254,2254,2254,DB08237,2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate),DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O,DRUG_2254
2255,2255,2255,2255,2255,2255,2255,2255,DB16355,Sotrovimab,DrugBank,drug,,DRUG_2255
2256,2256,2256,2256,2256,2256,2256,2256,DB02247,Hydrolyzed Cephalothin,DrugBank,drug,[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)[C@@]1([H])NC(C(O)=O)=C(C)CS1,DRUG_2256
2257,2257,2257,2257,2257,2257,2257,2257,DB08993,Enviomycin,DrugBank,drug,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)[C@H](O)CCN)=C\NC(N)=O,DRUG_2257
2258,2258,2258,2258,2258,2258,2258,2258,DB09499,Thiosulfuric acid,DrugBank,drug,OS(O)(=O)=S,DRUG_2258
2259,2259,2259,2259,2259,2259,2259,2259,DB07816,N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID,DrugBank,drug,OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N,DRUG_2259
2260,2260,2260,2260,2260,2260,2260,2260,DB00314,Capreomycin,DrugBank,drug,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O,DRUG_2260
2261,2261,2261,2261,2261,2261,2261,2261,DB03480,Brequinar Analog,DrugBank,drug,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_2261
2262,2262,2262,2262,2262,2262,2262,2262,DB11945,Avelumab,DrugBank,drug,,DRUG_2262
2263,2263,2263,2263,2263,2263,2263,2263,DB15565,Cilazaprilat,DrugBank,drug,OC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,DRUG_2263
2264,2264,2264,2264,2264,2264,2264,2264,DB11263,Polydatin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_2264
2265,2265,2265,2265,2265,2265,2265,2265,DB00679,Thioridazine,DrugBank,drug,CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1,DRUG_2265
2266,2266,2266,2266,2266,2266,2266,2266,DB02401,"4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid",DrugBank,drug,OC(=O)C1=NON=C1O,DRUG_2266
2267,2267,2267,2267,2267,2267,2267,2267,DB08687,FG-2216,DrugBank,drug,OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1,DRUG_2267
2268,2268,2268,2268,2268,2268,2268,2268,DB09131,Cupric Chloride,DrugBank,drug,Cl[Cu]Cl,DRUG_2268
2269,2269,2269,2269,2269,2269,2269,2269,DB12122,Figopitant,DrugBank,drug,CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H](N1CCN(CC2CC2)CC1)C1=CC=CC=C1,DRUG_2269
2270,2270,2270,2270,2270,2270,2270,2270,DB15389,Teceleukin,DrugBank,drug,,DRUG_2270
2271,2271,2271,2271,2271,2271,2271,2271,DB15639,AMG-337,DrugBank,drug,COCCOC1=CC2=C(C=CN([C@H](C)C3=NN=C4N3C=C(C=C4F)C3=CN(C)N=C3)C2=O)N=C1,DRUG_2271
2272,2272,2272,2272,2272,2272,2272,2272,DB11400,Doramectin,DrugBank,drug,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@@H]4C[C@@H](C[C@]5(O4)O[C@H](C4CCCCC4)[C@@H](C)C=C5)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,DRUG_2272
2273,2273,2273,2273,2273,2273,2273,2273,DB17033,JTC-801 free base,DrugBank,drug,CCC1=CC=C(OCC2=CC=CC=C2C(=O)NC2=CC=C3N=C(C)C=C(N)C3=C2)C=C1,DRUG_2273
2274,2274,2274,2274,2274,2274,2274,2274,DB09098,Somatrem,DrugBank,drug,,DRUG_2274
2275,2275,2275,2275,2275,2275,2275,2275,DB03453,Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate,DrugBank,drug,[H]N=C(N([H])[H])N1CCC[C@H](CC(=O)N([H])[C@@H](CC2=CC=C(C=C2)C#CC2=CC=CC=C2)C(=O)OC)C1,DRUG_2275
2276,2276,2276,2276,2276,2276,2276,2276,DB01442,MMDA,DrugBank,drug,COC1=CC(CC(C)N)=CC2=C1OCO2,DRUG_2276
2277,2277,2277,2277,2277,2277,2277,2277,DB16039,AN2898,DrugBank,drug,OB1OCC2=C1C=CC(OC1=CC(C#N)=C(C=C1)C#N)=C2,DRUG_2277
2278,2278,2278,2278,2278,2278,2278,2278,DB01213,Fomepizole,DrugBank,drug,CC1=CNN=C1,DRUG_2278
2279,2279,2279,2279,2279,2279,2279,2279,DB01325,Quinethazone,DrugBank,drug,CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O,DRUG_2279
2280,2280,2280,2280,2280,2280,2280,2280,DB16893,S-38093,DrugBank,drug,NC(=O)C1=CC=C(OCCCN2CC3CCCC3C2)C=C1,DRUG_2280
2281,2281,2281,2281,2281,2281,2281,2281,DB05381,Histamine,DrugBank,drug,NCCC1=CNC=N1,DRUG_2281
2282,2282,2282,2282,2282,2282,2282,2282,DB08437,Puromycin,DrugBank,drug,COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1,DRUG_2282
2283,2283,2283,2283,2283,2283,2283,2283,DB09462,Glycerin,DrugBank,drug,OCC(O)CO,DRUG_2283
2284,2284,2284,2284,2284,2284,2284,2284,DB01547,Drotebanol,DrugBank,drug,[H][C@]12CC3=C(C(OC)=C(OC)C=C3)[C@@]3(CCN1C)C[C@H](O)CC[C@@]23O,DRUG_2284
2285,2285,2285,2285,2285,2285,2285,2285,DB08673,"4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE",DrugBank,drug,CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1,DRUG_2285
2286,2286,2286,2286,2286,2286,2286,2286,DB05099,Ancrod,DrugBank,drug,,DRUG_2286
2287,2287,2287,2287,2287,2287,2287,2287,DB01565,Dihydromorphine,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O,DRUG_2287
2288,2288,2288,2288,2288,2288,2288,2288,DB15046,LY-2881835,DrugBank,drug,CC#C[C@@H](CC(O)=O)C1=CC=C(OCC2=CC=C(CN3CCC4(CC3)C=CC3=C4C=CC=C3)C=C2)C=C1,DRUG_2288
2289,2289,2289,2289,2289,2289,2289,2289,DB09039,Eliglustat,DrugBank,drug,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1,DRUG_2289
2290,2290,2290,2290,2290,2290,2290,2290,DB11593,Isatoic anhydride,DrugBank,drug,O=C1NC2=CC=CC=C2C(=O)O1,DRUG_2290
2291,2291,2291,2291,2291,2291,2291,2291,DB15599,MIV-711,DrugBank,drug,,DRUG_2291
2292,2292,2292,2292,2292,2292,2292,2292,DB07899,(2S) N-acetyl-L-alanyl-αL-phenylalanyl-chloroethylketone,DrugBank,drug,[H][C@@](C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)CCCl,DRUG_2292
2293,2293,2293,2293,2293,2293,2293,2293,DB02345,Selenocysteine,DrugBank,drug,N[C@@H](C[SeH])C(O)=O,DRUG_2293
2294,2294,2294,2294,2294,2294,2294,2294,DB12417,Anagliptin,DrugBank,drug,CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N,DRUG_2294
2295,2295,2295,2295,2295,2295,2295,2295,DB15654,Moderna COVID-19 Vaccine,DrugBank,drug,,DRUG_2295
2296,2296,2296,2296,2296,2296,2296,2296,DB07878,"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE",DrugBank,drug,C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1,DRUG_2296
2297,2297,2297,2297,2297,2297,2297,2297,DB07615,Tranilast,DrugBank,drug,COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC,DRUG_2297
2298,2298,2298,2298,2298,2298,2298,2298,DB03900,tert-butanol,DrugBank,drug,CC(C)(C)O,DRUG_2298
2299,2299,2299,2299,2299,2299,2299,2299,DB08754,N-Caffeoyltyramine,DrugBank,drug,OC1=CC=C(CCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,DRUG_2299
2300,2300,2300,2300,2300,2300,2300,2300,DB09291,Rolapitant,DrugBank,drug,C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_2300
2301,2301,2301,2301,2301,2301,2301,2301,DB01649,7-methyl-GpppA,DrugBank,drug,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]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,DRUG_2301
2302,2302,2302,2302,2302,2302,2302,2302,DB00903,Etacrynic acid,DrugBank,drug,CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1,DRUG_2302
2303,2303,2303,2303,2303,2303,2303,2303,DB06217,Vernakalant,DrugBank,drug,COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1,DRUG_2303
2304,2304,2304,2304,2304,2304,2304,2304,DB11740,Adavosertib,DrugBank,drug,CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1,DRUG_2304
2305,2305,2305,2305,2305,2305,2305,2305,DB00323,Tolcapone,DrugBank,drug,CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O,DRUG_2305
2306,2306,2306,2306,2306,2306,2306,2306,DB06481,Manitimus,DrugBank,drug,O\C(CCC#C)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,DRUG_2306
2307,2307,2307,2307,2307,2307,2307,2307,DB16045,TERN-101,DrugBank,drug,CN1C=C(C(O)=O)C2=C1C=C(C=C2)N1CCC(CC1)OCC1=C(ON=C1C1=C(Cl)C=CC=C1Cl)C1CC1,DRUG_2307
2308,2308,2308,2308,2308,2308,2308,2308,DB13762,Dexrabeprazole,DrugBank,drug,COCCCOC1=CC=NC(C[S@@](=O)C2=NC3=CC=CC=C3N2)=C1C,DRUG_2308
2309,2309,2309,2309,2309,2309,2309,2309,DB08280,"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE",DrugBank,drug,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O,DRUG_2309
2310,2310,2310,2310,2310,2310,2310,2310,DB12492,Piritramide,DrugBank,drug,NC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)N1CCCCC1,DRUG_2310
2311,2311,2311,2311,2311,2311,2311,2311,DB03643,CRA_1144,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC=C1[O-],DRUG_2311
2312,2312,2312,2312,2312,2312,2312,2312,DB05424,Canertinib,DrugBank,drug,FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1,DRUG_2312
2313,2313,2313,2313,2313,2313,2313,2313,DB16214,Landipirdine,DrugBank,drug,NC(=O)NC[C@@H]1CCCC2=CC(=CC=C12)S(=O)(=O)C1=CC(F)=CC=C1,DRUG_2313
2314,2314,2314,2314,2314,2314,2314,2314,DB00072,Trastuzumab,DrugBank,drug,,DRUG_2314
2315,2315,2315,2315,2315,2315,2315,2315,DB00529,Foscarnet,DrugBank,drug,OC(=O)P(O)(O)=O,DRUG_2315
2316,2316,2316,2316,2316,2316,2316,2316,DB13646,Saruplase,DrugBank,drug,,DRUG_2316
2317,2317,2317,2317,2317,2317,2317,2317,DB11549,Tiletamine,DrugBank,drug,CCNC1(CCCCC1=O)C1=CC=CS1,DRUG_2317
2318,2318,2318,2318,2318,2318,2318,2318,DB06200,Tedisamil,DrugBank,drug,C(C1CC1)N1CC2CN(CC3CC3)CC(C1)C21CCCC1,DRUG_2318
2319,2319,2319,2319,2319,2319,2319,2319,DB03749,"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole",DrugBank,drug,CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1,DRUG_2319
2320,2320,2320,2320,2320,2320,2320,2320,DB13051,CH-5132799,DrugBank,drug,CS(=O)(=O)N1CCC2=C(N=C(N=C12)N1CCOCC1)C1=CN=C(N)N=C1,DRUG_2320
2321,2321,2321,2321,2321,2321,2321,2321,DB13659,Tenonitrozole,DrugBank,drug,O=C(NC1=NC=C(S1)N(=O)=O)C1=CC=CS1,DRUG_2321
2322,2322,2322,2322,2322,2322,2322,2322,DB01223,Aminophylline,DrugBank,drug,NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O,DRUG_2322
2323,2323,2323,2323,2323,2323,2323,2323,DB06710,Methyltestosterone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_2323
2324,2324,2324,2324,2324,2324,2324,2324,DB00138,Cystine,DrugBank,drug,N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,DRUG_2324
2325,2325,2325,2325,2325,2325,2325,2325,DB07467,(S)-Indapamide,DrugBank,drug,C[C@H]1CC2=C(C=CC=C2)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,DRUG_2325
2326,2326,2326,2326,2326,2326,2326,2326,DB03615,Ribostamycin,DrugBank,drug,[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_2326
2327,2327,2327,2327,2327,2327,2327,2327,DB07024,"2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE",DrugBank,drug,CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1,DRUG_2327
2328,2328,2328,2328,2328,2328,2328,2328,DB08085,1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE,DrugBank,drug,CCCCCCC1=CC=C(C=C1)C(=O)C=C,DRUG_2328
2329,2329,2329,2329,2329,2329,2329,2329,DB00040,Glucagon,DrugBank,drug,,DRUG_2329
2330,2330,2330,2330,2330,2330,2330,2330,DB15784,Carmoterol,DrugBank,drug,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC=C(O)C3=C2C=CC(=O)N3)C=C1,DRUG_2330
2331,2331,2331,2331,2331,2331,2331,2331,DB08029,N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide,DrugBank,drug,OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_2331
2332,2332,2332,2332,2332,2332,2332,2332,DB13699,Sulfathiourea,DrugBank,drug,NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_2332
2333,2333,2333,2333,2333,2333,2333,2333,DB08902,Raxibacumab,DrugBank,drug,,DRUG_2333
2334,2334,2334,2334,2334,2334,2334,2334,DB09281,Magnesium trisilicate,DrugBank,drug,[Mg++].[Mg++].[O-][Si](=O)O[Si]([O-])([O-])O[Si]([O-])=O,DRUG_2334
2335,2335,2335,2335,2335,2335,2335,2335,DB06636,Isavuconazonium,DrugBank,drug,[H]C(C)(OC(=O)N(C)C1=C(COC(=O)CNC)C=CC=N1)[N+]1=CN(C[C@](O)(C2=C(F)C=CC(F)=C2)[C@@]([H])(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)N=C1,DRUG_2335
2336,2336,2336,2336,2336,2336,2336,2336,DB07642,"5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",DrugBank,drug,NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1,DRUG_2336
2337,2337,2337,2337,2337,2337,2337,2337,DB09263,Patiromer,DrugBank,drug,,DRUG_2337
2338,2338,2338,2338,2338,2338,2338,2338,DB06982,(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid,DrugBank,drug,[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2,DRUG_2338
2339,2339,2339,2339,2339,2339,2339,2339,DB06162,Lumiliximab,DrugBank,drug,,DRUG_2339
2340,2340,2340,2340,2340,2340,2340,2340,DB01146,Diphenylpyraline,DrugBank,drug,CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2340
2341,2341,2341,2341,2341,2341,2341,2341,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",DrugBank,drug,CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1,DRUG_2341
2342,2342,2342,2342,2342,2342,2342,2342,DB07247,"[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA",DrugBank,drug,NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2,DRUG_2342
2343,2343,2343,2343,2343,2343,2343,2343,DB01142,Doxepin,DrugBank,drug,[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12,DRUG_2343
2344,2344,2344,2344,2344,2344,2344,2344,DB04020,"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol",DrugBank,drug,OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1,DRUG_2344
2345,2345,2345,2345,2345,2345,2345,2345,DB17180,KX-2361,DrugBank,drug,FC1=CC=CC(CNC(=O)CC2=NC=C(C=C2)C2=CC=C(C=C2)N2CCOCC2)=C1,DRUG_2345
2346,2346,2346,2346,2346,2346,2346,2346,DB06898,"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol",DrugBank,drug,CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1,DRUG_2346
2347,2347,2347,2347,2347,2347,2347,2347,DB14054,Asiatic acid,DrugBank,drug,[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO,DRUG_2347
2348,2348,2348,2348,2348,2348,2348,2348,DB09082,Vilanterol,DrugBank,drug,OCC1=C(O)C=CC(=C1)[C@@H](O)CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl,DRUG_2348
2349,2349,2349,2349,2349,2349,2349,2349,DB14012,Burosumab,DrugBank,drug,,DRUG_2349
2350,2350,2350,2350,2350,2350,2350,2350,DB05220,Alisertib,DrugBank,drug,COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C2=C(OC)C=CC=C2F)=CC=C1C(O)=O,DRUG_2350
2351,2351,2351,2351,2351,2351,2351,2351,DB16411,Camidanlumab tesirine,DrugBank,drug,,DRUG_2351
2352,2352,2352,2352,2352,2352,2352,2352,DB04242,4-hydroxybenzoic acid,DrugBank,drug,OC(=O)C1=CC=C(O)C=C1,DRUG_2352
2353,2353,2353,2353,2353,2353,2353,2353,DB04288,2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine,DrugBank,drug,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1,DRUG_2353
2354,2354,2354,2354,2354,2354,2354,2354,DB04918,Ceftobiprole,DrugBank,drug,[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C(O)=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCNC1,DRUG_2354
2355,2355,2355,2355,2355,2355,2355,2355,DB07039,(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide,DrugBank,drug,C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(I)=C1,DRUG_2355
2356,2356,2356,2356,2356,2356,2356,2356,DB05016,Ataluren,DrugBank,drug,OC(=O)C1=CC=CC(=C1)C1=NOC(=N1)C1=CC=CC=C1F,DRUG_2356
2357,2357,2357,2357,2357,2357,2357,2357,DB12456,Bococizumab,DrugBank,drug,,DRUG_2357
2358,2358,2358,2358,2358,2358,2358,2358,DB00647,Dextropropoxyphene,DrugBank,drug,CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,DRUG_2358
2359,2359,2359,2359,2359,2359,2359,2359,DB00881,Quinapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O,DRUG_2359
2360,2360,2360,2360,2360,2360,2360,2360,DB13138,Neladenoson bialanate,DrugBank,drug,C[C@H](N)C(=O)N[C@@H](C)C(=O)OCCOC1=CC=C(C=C1)C1=C(C#N)C(=NC(SCC2=CSC(=N2)C2=CC=C(Cl)C=C2)=C1C#N)N1CCCC1,DRUG_2360
2361,2361,2361,2361,2361,2361,2361,2361,DB12395,Esreboxetine,DrugBank,drug,[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,DRUG_2361
2362,2362,2362,2362,2362,2362,2362,2362,DB00655,Estrone,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_2362
2363,2363,2363,2363,2363,2363,2363,2363,DB00896,Rimexolone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2363
2364,2364,2364,2364,2364,2364,2364,2364,DB12622,Lupeol,DrugBank,drug,[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C,DRUG_2364
2365,2365,2365,2365,2365,2365,2365,2365,DB00038,Oprelvekin,DrugBank,drug,,DRUG_2365
2366,2366,2366,2366,2366,2366,2366,2366,DB07672,TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE,DrugBank,drug,[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1,DRUG_2366
2367,2367,2367,2367,2367,2367,2367,2367,DB00126,Ascorbic acid,DrugBank,drug,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,DRUG_2367
2368,2368,2368,2368,2368,2368,2368,2368,DB06508,GW-559090,DrugBank,drug,CC(C)C[C@H](NC(=O)COC1=CC=CC=C1C)C(=O)N[C@@H](CC1=CC=C(OC(=O)N2CCC(CC2)C(N)=O)C=C1)C(O)=O,DRUG_2368
2369,2369,2369,2369,2369,2369,2369,2369,DB11390,Coumaphos,DrugBank,drug,CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(C)=C(Cl)C(=O)O2,DRUG_2369
2370,2370,2370,2370,2370,2370,2370,2370,DB05518,Managlinat dialanetil,DrugBank,drug,[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(N)=N1)C(=O)OCC,DRUG_2370
2371,2371,2371,2371,2371,2371,2371,2371,DB03595,CRA_9785,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(OC(F)(F)F)=CC=C1[O-],DRUG_2371
2372,2372,2372,2372,2372,2372,2372,2372,DB04350,Argadin,DrugBank,drug,CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC2=CNC=N2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,DRUG_2372
2373,2373,2373,2373,2373,2373,2373,2373,DB16909,TIK-301,DrugBank,drug,COC1=CC2=C(NC=C2[C@@H](C)CNC(C)=O)C=C1Cl,DRUG_2373
2374,2374,2374,2374,2374,2374,2374,2374,DB14585,Plantago ovata seed,DrugBank,drug,,DRUG_2374
2375,2375,2375,2375,2375,2375,2375,2375,DB15205,Capromorelin,DrugBank,drug,CN1N=C2CCN(C[C@@]2(CC2=CC=CC=C2)C1=O)C(=O)[C@@H](COCC1=CC=CC=C1)NC(=O)C(C)(C)N,DRUG_2375
2376,2376,2376,2376,2376,2376,2376,2376,DB15045,Ipafricept,DrugBank,drug,,DRUG_2376
2377,2377,2377,2377,2377,2377,2377,2377,DB11644,Tafamidis,DrugBank,drug,OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1,DRUG_2377
2378,2378,2378,2378,2378,2378,2378,2378,DB01598,Imipenem,DrugBank,drug,[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,DRUG_2378
2379,2379,2379,2379,2379,2379,2379,2379,DB07612,6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE,DrugBank,drug,CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F,DRUG_2379
2380,2380,2380,2380,2380,2380,2380,2380,DB08643,2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER,DrugBank,drug,[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC,DRUG_2380
2381,2381,2381,2381,2381,2381,2381,2381,DB00103,Agalsidase beta,DrugBank,drug,,DRUG_2381
2382,2382,2382,2382,2382,2382,2382,2382,DB11681,Tofimilast,DrugBank,drug,CCC1=NN(C2CCCC2)C2=C1CCN1C(=NN=C21)C1=CC=CS1,DRUG_2382
2383,2383,2383,2383,2383,2383,2383,2383,DB01044,Gatifloxacin,DrugBank,drug,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1,DRUG_2383
2384,2384,2384,2384,2384,2384,2384,2384,DB04846,Celiprolol,DrugBank,drug,CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O,DRUG_2384
2385,2385,2385,2385,2385,2385,2385,2385,DB12326,Antroquinonol,DrugBank,drug,COC1=C(OC)C(=O)[C@H](C)[C@@H](C\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@H]1O,DRUG_2385
2386,2386,2386,2386,2386,2386,2386,2386,DB08350,"5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE",DrugBank,drug,COC1=CC=CC=C1C1=CNC2=C1C=C(C=N2)C1=CC(=CN=C1)C(=O)N(C)C,DRUG_2386
2387,2387,2387,2387,2387,2387,2387,2387,DB07048,"N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide",DrugBank,drug,[H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC,DRUG_2387
2388,2388,2388,2388,2388,2388,2388,2388,DB15273,VS-4718,DrugBank,drug,CNC(=O)C1=CC=CC=C1NC1=CC(NC2=C(OC)C=C(C=C2)N2CCOCC2)=NC=C1C(F)(F)F,DRUG_2388
2389,2389,2389,2389,2389,2389,2389,2389,DB13521,Alipogene tiparvovec,DrugBank,drug,,DRUG_2389
2390,2390,2390,2390,2390,2390,2390,2390,DB00796,Candesartan cilexetil,DrugBank,drug,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(=O)OC(C)OC(=O)OC1CCCCC1,DRUG_2390
2391,2391,2391,2391,2391,2391,2391,2391,DB13704,Pristinamycin,DrugBank,drug,,DRUG_2391
2392,2392,2392,2392,2392,2392,2392,2392,DB06938,4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide,DrugBank,drug,CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1,DRUG_2392
2393,2393,2393,2393,2393,2393,2393,2393,DB19130,Relmapirazin,DrugBank,drug,NC1=NC(C(=O)N[C@H](CO)C(O)=O)=C(N)N=C1C(=O)N[C@H](CO)C(O)=O,DRUG_2393
2394,2394,2394,2394,2394,2394,2394,2394,DB13368,Motretinide,DrugBank,drug,CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C=C(OC)C(C)=C1C,DRUG_2394
2395,2395,2395,2395,2395,2395,2395,2395,DB14763,Cycloguanil,DrugBank,drug,CC1(C)N=C(N)N=C(N)N1C1=CC=C(Cl)C=C1,DRUG_2395
2396,2396,2396,2396,2396,2396,2396,2396,DB00279,Liothyronine,DrugBank,drug,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O,DRUG_2396
2397,2397,2397,2397,2397,2397,2397,2397,DB12271,ORE-1001,DrugBank,drug,CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O,DRUG_2397
2398,2398,2398,2398,2398,2398,2398,2398,DB09187,Lortalamine,DrugBank,drug,CN1CCC23NC(=O)CC(C2C1)C1=CC(Cl)=CC=C1O3,DRUG_2398
2399,2399,2399,2399,2399,2399,2399,2399,DB13799,Ethadione,DrugBank,drug,CCN1C(=O)OC(C)(C)C1=O,DRUG_2399
2400,2400,2400,2400,2400,2400,2400,2400,DB06397,Nicaraven,DrugBank,drug,CC(CNC(=O)C1=CC=CN=C1)NC(=O)C1=CC=CN=C1,DRUG_2400
2401,2401,2401,2401,2401,2401,2401,2401,DB01597,Cilastatin,DrugBank,drug,CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O,DRUG_2401
2402,2402,2402,2402,2402,2402,2402,2402,DB12741,DTP-348,DrugBank,drug,CC1=NC=C(N1CCNS(N)(=O)=O)N(=O)=O,DRUG_2402
2403,2403,2403,2403,2403,2403,2403,2403,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",DrugBank,drug,[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3,DRUG_2403
2404,2404,2404,2404,2404,2404,2404,2404,DB09282,Molsidomine,DrugBank,drug,CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1,DRUG_2404
2405,2405,2405,2405,2405,2405,2405,2405,DB00229,Cefotiam,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O,DRUG_2405
2406,2406,2406,2406,2406,2406,2406,2406,DB14071,Desmethylsertraline,DrugBank,drug,[H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,DRUG_2406
2407,2407,2407,2407,2407,2407,2407,2407,DB14581,CPI-1205,DrugBank,drug,COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1,DRUG_2407
2408,2408,2408,2408,2408,2408,2408,2408,DB13009,Carbendazim,DrugBank,drug,COC(=O)NC1=NC2=CC=CC=C2N1,DRUG_2408
2409,2409,2409,2409,2409,2409,2409,2409,DB03390,"(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid",DrugBank,drug,[H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O,DRUG_2409
2410,2410,2410,2410,2410,2410,2410,2410,DB00855,Aminolevulinic acid,DrugBank,drug,NCC(=O)CCC(O)=O,DRUG_2410
2411,2411,2411,2411,2411,2411,2411,2411,DB06274,Alvimopan,DrugBank,drug,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1,DRUG_2411
2412,2412,2412,2412,2412,2412,2412,2412,DB13984,Cyclopropane,DrugBank,drug,C1CC1,DRUG_2412
2413,2413,2413,2413,2413,2413,2413,2413,DB06829,4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID,DrugBank,drug,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O,DRUG_2413
2414,2414,2414,2414,2414,2414,2414,2414,DB02221,"4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F,DRUG_2414
2415,2415,2415,2415,2415,2415,2415,2415,DB02322,Heparin Disaccharide I-S,DrugBank,drug,[H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,DRUG_2415
2416,2416,2416,2416,2416,2416,2416,2416,DB06769,Bendamustine,DrugBank,drug,CN1C(CCCC(O)=O)=NC2=CC(=CC=C12)N(CCCl)CCCl,DRUG_2416
2417,2417,2417,2417,2417,2417,2417,2417,DB11753,Rifamycin,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=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)C=C(O)C4=C3C2=O,DRUG_2417
2418,2418,2418,2418,2418,2418,2418,2418,DB09262,Imidafenacin,DrugBank,drug,CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2418
2419,2419,2419,2419,2419,2419,2419,2419,DB09089,Trimebutine,DrugBank,drug,CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1,DRUG_2419
2420,2420,2420,2420,2420,2420,2420,2420,DB06944,N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide,DrugBank,drug,O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1,DRUG_2420
2421,2421,2421,2421,2421,2421,2421,2421,DB09230,Azelnidipine,DrugBank,drug,CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2421
2422,2422,2422,2422,2422,2422,2422,2422,DB00347,Trimethadione,DrugBank,drug,CN1C(=O)OC(C)(C)C1=O,DRUG_2422
2423,2423,2423,2423,2423,2423,2423,2423,DB01209,Dezocine,DrugBank,drug,[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N,DRUG_2423
2424,2424,2424,2424,2424,2424,2424,2424,DB09055,Acipimox,DrugBank,drug,CC1=[N+]([O-])C=C(N=C1)C(O)=O,DRUG_2424
2425,2425,2425,2425,2425,2425,2425,2425,DB11633,Isavuconazole,DrugBank,drug,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1,DRUG_2425
2426,2426,2426,2426,2426,2426,2426,2426,DB01861,Uridine diphosphate glucose,DrugBank,drug,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_2426
2427,2427,2427,2427,2427,2427,2427,2427,DB03066,D-Lactic acid,DrugBank,drug,[H][C@](C)(O)C(O)=O,DRUG_2427
2428,2428,2428,2428,2428,2428,2428,2428,DB14973,Abrocitinib,DrugBank,drug,CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1,DRUG_2428
2429,2429,2429,2429,2429,2429,2429,2429,DB08453,2-Nonyl-4-quinolinol 1-oxide,DrugBank,drug,CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1,DRUG_2429
2430,2430,2430,2430,2430,2430,2430,2430,DB01704,"2,4-Dihydroxy-Trans Cinnamic Acid",DrugBank,drug,[H]\C(=C(\[H])C1=C(O)C=C(O)C=C1)C(O)=O,DRUG_2430
2431,2431,2431,2431,2431,2431,2431,2431,DB15490,Zuranolone,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@](C)(O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)C(=O)CN1C=C(C=N1)C#N,DRUG_2431
2432,2432,2432,2432,2432,2432,2432,2432,DB09066,Corifollitropin alfa,DrugBank,drug,,DRUG_2432
2433,2433,2433,2433,2433,2433,2433,2433,DB14639,Boldenone undecylenate,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,DRUG_2433
2434,2434,2434,2434,2434,2434,2434,2434,DB05560,Delcasertib,DrugBank,drug,,DRUG_2434
2435,2435,2435,2435,2435,2435,2435,2435,DB01892,Hyperforin,DrugBank,drug,CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,DRUG_2435
2436,2436,2436,2436,2436,2436,2436,2436,DB01203,Nadolol,DrugBank,drug,CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2,DRUG_2436
2437,2437,2437,2437,2437,2437,2437,2437,DB11782,Birinapant,DrugBank,drug,CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1CC1=C(NC2=CC(F)=CC=C12)C1=C(C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)C2=CC=C(F)C=C2N1,DRUG_2437
2438,2438,2438,2438,2438,2438,2438,2438,DB12736,Etanidazole,DrugBank,drug,OCCNC(=O)CN1C=CN=C1[N+]([O-])=O,DRUG_2438
2439,2439,2439,2439,2439,2439,2439,2439,DB11743,Ipatasertib,DrugBank,drug,[H][C@](CNC(C)C)(C(=O)N1CCN(CC1)C1=NC=NC2=C1[C@]([H])(C)C[C@@]2([H])O)C1=CC=C(Cl)C=C1,DRUG_2439
2440,2440,2440,2440,2440,2440,2440,2440,DB09038,Empagliflozin,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C1,DRUG_2440
2441,2441,2441,2441,2441,2441,2441,2441,DB06750,Ginsenoside Rg1,DrugBank,drug,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](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_2441
2442,2442,2442,2442,2442,2442,2442,2442,DB06133,Dimethylcurcumin,DrugBank,drug,COC1=CC=C(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C=C1OC,DRUG_2442
2443,2443,2443,2443,2443,2443,2443,2443,DB12309,GI-181771X,DrugBank,drug,CC(C)N(C(=O)CN1C2=CC=CC=C2N(C2=CC=CC=C2)C(=O)[C@@H](NC(=O)NC2=CC=CC(=C2)C(O)=O)C1=O)C1=CC=CC=C1,DRUG_2443
2444,2444,2444,2444,2444,2444,2444,2444,DB13317,Flunoxaprofen,DrugBank,drug,C[C@H](C(O)=O)C1=CC=C2OC(=NC2=C1)C1=CC=C(F)C=C1,DRUG_2444
2445,2445,2445,2445,2445,2445,2445,2445,DB00388,Phenylephrine,DrugBank,drug,CNC[C@H](O)C1=CC(O)=CC=C1,DRUG_2445
2446,2446,2446,2446,2446,2446,2446,2446,DB00639,Butoconazole,DrugBank,drug,ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1,DRUG_2446
2447,2447,2447,2447,2447,2447,2447,2447,DB02532,"2,4,6-Triaminoquinazoline",DrugBank,drug,NC1=CC=C2N=C(N)N=C(N)C2=C1,DRUG_2447
2448,2448,2448,2448,2448,2448,2448,2448,DB04752,Phosphatidyl ethanol,DrugBank,drug,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OCCO,DRUG_2448
2449,2449,2449,2449,2449,2449,2449,2449,DB00850,Perphenazine,DrugBank,drug,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,DRUG_2449
2450,2450,2450,2450,2450,2450,2450,2450,DB00469,Tenoxicam,DrugBank,drug,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O,DRUG_2450
2451,2451,2451,2451,2451,2451,2451,2451,DB01115,Nifedipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC,DRUG_2451
2452,2452,2452,2452,2452,2452,2452,2452,DB00610,Metaraminol,DrugBank,drug,C[C@H](N)[C@H](O)C1=CC(O)=CC=C1,DRUG_2452
2453,2453,2453,2453,2453,2453,2453,2453,DB06600,Nemonoxacin,DrugBank,drug,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC=C1N1C[C@@H](C)C[C@H](N)C1)C1CC1,DRUG_2453
2454,2454,2454,2454,2454,2454,2454,2454,DB14050,Cannabidivarin,DrugBank,drug,[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C,DRUG_2454
2455,2455,2455,2455,2455,2455,2455,2455,DB00380,Dexrazoxane,DrugBank,drug,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,DRUG_2455
2456,2456,2456,2456,2456,2456,2456,2456,DB00477,Chlorpromazine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,DRUG_2456
2457,2457,2457,2457,2457,2457,2457,2457,DB00419,Miglustat,DrugBank,drug,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,DRUG_2457
2458,2458,2458,2458,2458,2458,2458,2458,DB15688,Zavegepant,DrugBank,drug,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2,DRUG_2458
2459,2459,2459,2459,2459,2459,2459,2459,DB08807,Bopindolol,DrugBank,drug,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1,DRUG_2459
2460,2460,2460,2460,2460,2460,2460,2460,DB01528,"4-Methyl-2,5-dimethoxyamphetamine",DrugBank,drug,COC1=CC(CC(C)N)=C(OC)C=C1C,DRUG_2460
2461,2461,2461,2461,2461,2461,2461,2461,DB03121,(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid,DrugBank,drug,COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O,DRUG_2461
2462,2462,2462,2462,2462,2462,2462,2462,DB03738,Pantothenoylaminoethenethiol,DrugBank,drug,[H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO,DRUG_2462
2463,2463,2463,2463,2463,2463,2463,2463,DB00841,Dobutamine,DrugBank,drug,CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1,DRUG_2463
2464,2464,2464,2464,2464,2464,2464,2464,DB00879,Emtricitabine,DrugBank,drug,[H][C@@]1(CO)O[C@@]([H])(CS1)N1C=C(F)C(=N)N=C1O,DRUG_2464
2465,2465,2465,2465,2465,2465,2465,2465,DB00485,Dicloxacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O,DRUG_2465
2466,2466,2466,2466,2466,2466,2466,2466,DB00774,Hydroflumethiazide,DrugBank,drug,NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F,DRUG_2466
2467,2467,2467,2467,2467,2467,2467,2467,DB12579,JNJ-37822681,DrugBank,drug,FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1,DRUG_2467
2468,2468,2468,2468,2468,2468,2468,2468,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",DrugBank,drug,[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1,DRUG_2468
2469,2469,2469,2469,2469,2469,2469,2469,DB14530,Chromous sulfate,DrugBank,drug,[Cr++].[O-]S([O-])(=O)=O,DRUG_2469
2470,2470,2470,2470,2470,2470,2470,2470,DB11181,Homatropine,DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C,DRUG_2470
2471,2471,2471,2471,2471,2471,2471,2471,DB13313,Melevodopa,DrugBank,drug,COC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1,DRUG_2471
2472,2472,2472,2472,2472,2472,2472,2472,DB04865,Omacetaxine mepesuccinate,DrugBank,drug,[H][C@@]1(OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]13[H],DRUG_2472
2473,2473,2473,2473,2473,2473,2473,2473,DB00770,Alprostadil,DrugBank,drug,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,DRUG_2473
2474,2474,2474,2474,2474,2474,2474,2474,DB00471,Montelukast,DrugBank,drug,OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1,DRUG_2474
2475,2475,2475,2475,2475,2475,2475,2475,DB02613,Capric dimethyl amine oxide,DrugBank,drug,CCCCCCCCCC[N+](C)(C)[O-],DRUG_2475
2476,2476,2476,2476,2476,2476,2476,2476,DB08795,Azidocillin,DrugBank,drug,[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,DRUG_2476
2477,2477,2477,2477,2477,2477,2477,2477,DB06447,E5531,DrugBank,drug,[H]N([C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2N([H])C(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC)C(=O)CC(=O)CCCCCCCCCCC,DRUG_2477
2478,2478,2478,2478,2478,2478,2478,2478,DB11763,Momelotinib,DrugBank,drug,O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1,DRUG_2478
2479,2479,2479,2479,2479,2479,2479,2479,DB12805,Ataciguat,DrugBank,drug,ClC1=CC=C(S1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCOCC1,DRUG_2479
2480,2480,2480,2480,2480,2480,2480,2480,DB05297,Paclitaxel docosahexaenoic acid,DrugBank,drug,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2480
2481,2481,2481,2481,2481,2481,2481,2481,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",DrugBank,drug,[H][C@]1(CC\N=C2/NC[C@]([H])(Cl)N(CCNCC3=CSC4=CC=C(Cl)C=C34)C2O)CCCCN1,DRUG_2481
2482,2482,2482,2482,2482,2482,2482,2482,DB00250,Dapsone,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_2482
2483,2483,2483,2483,2483,2483,2483,2483,DB07461,"3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",DrugBank,drug,[H][C@]1(CCN2CC[C@@](N)(CC3=CC=CC=C3)C(=O)N12)C=O,DRUG_2483
2484,2484,2484,2484,2484,2484,2484,2484,DB07302,9(S)-HODE,DrugBank,drug,CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O,DRUG_2484
2485,2485,2485,2485,2485,2485,2485,2485,DB01018,Guanfacine,DrugBank,drug,NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl,DRUG_2485
2486,2486,2486,2486,2486,2486,2486,2486,DB10532,Garlic,DrugBank,drug,,DRUG_2486
2487,2487,2487,2487,2487,2487,2487,2487,DB16343,Tropifexor,DrugBank,drug,OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1,DRUG_2487
2488,2488,2488,2488,2488,2488,2488,2488,DB00688,Mycophenolate mofetil,DrugBank,drug,COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C,DRUG_2488
2489,2489,2489,2489,2489,2489,2489,2489,DB06914,"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE",DrugBank,drug,ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1,DRUG_2489
2490,2490,2490,2490,2490,2490,2490,2490,DB07632,"5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide",DrugBank,drug,NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl,DRUG_2490
2491,2491,2491,2491,2491,2491,2491,2491,DB13156,Inosine pranobex,DrugBank,drug,C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.C[C@@H](O)CN(C)C.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.CC(=O)NC1=CC=C(C=C1)C(O)=O.OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=O,DRUG_2491
2492,2492,2492,2492,2492,2492,2492,2492,DB07853,"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile",DrugBank,drug,N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1,DRUG_2492
2493,2493,2493,2493,2493,2493,2493,2493,DB08303,"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",DrugBank,drug,[H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,DRUG_2493
2494,2494,2494,2494,2494,2494,2494,2494,DB06070,SNX-5422,DrugBank,drug,CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1,DRUG_2494
2495,2495,2495,2495,2495,2495,2495,2495,DB05246,Methsuximide,DrugBank,drug,CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1,DRUG_2495
2496,2496,2496,2496,2496,2496,2496,2496,DB13133,Von Willebrand factor human,DrugBank,drug,,DRUG_2496
2497,2497,2497,2497,2497,2497,2497,2497,DB02220,AL7089A,DrugBank,drug,CN[C@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_2497
2498,2498,2498,2498,2498,2498,2498,2498,DB00272,Betazole,DrugBank,drug,NCCC1=CC=NN1,DRUG_2498
2499,2499,2499,2499,2499,2499,2499,2499,DB12852,MK-0752,DrugBank,drug,OC(=O)CC[C@H]1CC[C@@](CC1)(C1=C(F)C=CC(F)=C1)S(=O)(=O)C1=CC=C(Cl)C=C1,DRUG_2499
2500,2500,2500,2500,2500,2500,2500,2500,DB00831,Trifluoperazine,DrugBank,drug,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,DRUG_2500
2501,2501,2501,2501,2501,2501,2501,2501,DB00717,Norethisterone,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_2501
2502,2502,2502,2502,2502,2502,2502,2502,DB15068,Agerafenib,DrugBank,drug,COC1=C(OC)C=C2C(OC3=CC=CC(NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F)=C3)=NC=NC2=C1,DRUG_2502
2503,2503,2503,2503,2503,2503,2503,2503,DB07274,"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide",DrugBank,drug,COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1,DRUG_2503
2504,2504,2504,2504,2504,2504,2504,2504,DB12826,Depatuxizumab,DrugBank,drug,,DRUG_2504
2505,2505,2505,2505,2505,2505,2505,2505,DB13206,Bamethan,DrugBank,drug,CCCCNCC(O)C1=CC=C(O)C=C1,DRUG_2505
2506,2506,2506,2506,2506,2506,2506,2506,DB08242,"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide",DrugBank,drug,CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1,DRUG_2506
2507,2507,2507,2507,2507,2507,2507,2507,DB07561,(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide,DrugBank,drug,CCOC1=CC(=CC=C1)C1=CC=C(NC(=O)C(\C#N)=C(\C)O)C=C1,DRUG_2507
2508,2508,2508,2508,2508,2508,2508,2508,DB01337,Pancuronium,DrugBank,drug,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1,DRUG_2508
2509,2509,2509,2509,2509,2509,2509,2509,DB06803,Niclosamide,DrugBank,drug,OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O,DRUG_2509
2510,2510,2510,2510,2510,2510,2510,2510,DB19257,Ginsenoside Rg3,DrugBank,drug,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@@](C)(O)CCC=C(C)C,DRUG_2510
2511,2511,2511,2511,2511,2511,2511,2511,DB03670,"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid",DrugBank,drug,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1,DRUG_2511
2512,2512,2512,2512,2512,2512,2512,2512,DB06618,Cutamesine,DrugBank,drug,COC1=C(OC)C=C(CCN2CCN(CCCC3=CC=CC=C3)CC2)C=C1,DRUG_2512
2513,2513,2513,2513,2513,2513,2513,2513,DB11725,Latrepirdine,DrugBank,drug,CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1,DRUG_2513
2514,2514,2514,2514,2514,2514,2514,2514,DB02078,Triglyme,DrugBank,drug,COCCOCCOCCOC,DRUG_2514
2515,2515,2515,2515,2515,2515,2515,2515,DB07161,5-phenyl-1H-indazol-3-amine,DrugBank,drug,NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1,DRUG_2515
2516,2516,2516,2516,2516,2516,2516,2516,DB09163,Technetium Tc-99m exametazime,DrugBank,drug,,DRUG_2516
2517,2517,2517,2517,2517,2517,2517,2517,DB06698,Betahistine,DrugBank,drug,CNCCC1=CC=CC=N1,DRUG_2517
2518,2518,2518,2518,2518,2518,2518,2518,DB00420,Promazine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_2518
2519,2519,2519,2519,2519,2519,2519,2519,DB05867,99mTc-14 F7 Mab,DrugBank,drug,,DRUG_2519
2520,2520,2520,2520,2520,2520,2520,2520,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",DrugBank,drug,[H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O,DRUG_2520
2521,2521,2521,2521,2521,2521,2521,2521,DB06247,CX516,DrugBank,drug,O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2,DRUG_2521
2522,2522,2522,2522,2522,2522,2522,2522,DB14217,Quinaprilat,DrugBank,drug,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2,DRUG_2522
2523,2523,2523,2523,2523,2523,2523,2523,DB14685,Adenovirus type 7 vaccine live,DrugBank,drug,,DRUG_2523
2524,2524,2524,2524,2524,2524,2524,2524,DB06379,Calcitonin gene-related peptide,DrugBank,drug,,DRUG_2524
2525,2525,2525,2525,2525,2525,2525,2525,DB18773,Flurpiridaz F-18,DrugBank,drug,CC(C)(C)N1N=CC(OCC2=CC=C(COCC[18F])C=C2)=C(Cl)C1=O,DRUG_2525
2526,2526,2526,2526,2526,2526,2526,2526,DB02553,Glutathionylspermidine disulfide,DrugBank,drug,[H]N([H])CCCCN([H])CCCN([H])C(=O)CN([H])C(=O)[C@H](CSSC[C@H](N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O)C(=O)N([H])CC(=O)N([H])CCCN([H])CCCCN([H])[H])N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O,DRUG_2526
2527,2527,2527,2527,2527,2527,2527,2527,DB08487,3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,DrugBank,drug,NC(=N)C1=CC(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)=CC=C1,DRUG_2527
2528,2528,2528,2528,2528,2528,2528,2528,DB14806,Avexitide,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,DRUG_2528
2529,2529,2529,2529,2529,2529,2529,2529,DB07845,"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide",DrugBank,drug,COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1,DRUG_2529
2530,2530,2530,2530,2530,2530,2530,2530,DB01191,Dexfenfluramine,DrugBank,drug,CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F,DRUG_2530
2531,2531,2531,2531,2531,2531,2531,2531,DB07991,N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE,DrugBank,drug,[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1,DRUG_2531
2532,2532,2532,2532,2532,2532,2532,2532,DB00163,Vitamin E,DrugBank,drug,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,DRUG_2532
2533,2533,2533,2533,2533,2533,2533,2533,DB09084,Benzydamine,DrugBank,drug,CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12,DRUG_2533
2534,2534,2534,2534,2534,2534,2534,2534,DB01481,1-Testosterone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,DRUG_2534
2535,2535,2535,2535,2535,2535,2535,2535,DB12514,Iofolastat I-123,DrugBank,drug,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNCC1=CC=C([123I])C=C1)C(O)=O)C(O)=O,DRUG_2535
2536,2536,2536,2536,2536,2536,2536,2536,DB02648,(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium,DrugBank,drug,C[N+](C)(C)C[C@H](O)CC(O)=O,DRUG_2536
2537,2537,2537,2537,2537,2537,2537,2537,DB13111,Chromanol,DrugBank,drug,CC1=C(O)C(C)=C2CCC(C)(C)OC2=C1C,DRUG_2537
2538,2538,2538,2538,2538,2538,2538,2538,DB15383,Pidilizumab,DrugBank,drug,,DRUG_2538
2539,2539,2539,2539,2539,2539,2539,2539,DB02296,Isoamyl alcohol,DrugBank,drug,CC(C)CCO,DRUG_2539
2540,2540,2540,2540,2540,2540,2540,2540,DB06307,Apoptone,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C,DRUG_2540
2541,2541,2541,2541,2541,2541,2541,2541,DB15425,CYC-065,DrugBank,drug,CC[C@H](NC1=NC(NCC2=C(C)C=C(C)N=C2)=C2N=CN(C(C)C)C2=N1)[C@@H](C)O,DRUG_2541
2542,2542,2542,2542,2542,2542,2542,2542,DB01577,Metamfetamine,DrugBank,drug,CN[C@@H](C)CC1=CC=CC=C1,DRUG_2542
2543,2543,2543,2543,2543,2543,2543,2543,DB13399,Terguride,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CN2C)NC(=O)N(CC)CC,DRUG_2543
2544,2544,2544,2544,2544,2544,2544,2544,DB04516,2-Deoxy-Glucitol-6-Phosphate,DrugBank,drug,[H][C@@](O)(CCO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,DRUG_2544
2545,2545,2545,2545,2545,2545,2545,2545,DB05134,Tanespimycin,DrugBank,drug,[H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC,DRUG_2545
2546,2546,2546,2546,2546,2546,2546,2546,DB11466,Tepoxalin,DrugBank,drug,COC1=CC=C(C=C1)N1N=C(CCC(=O)N(C)O)C=C1C1=CC=C(Cl)C=C1,DRUG_2546
2547,2547,2547,2547,2547,2547,2547,2547,DB13612,Carbaspirin calcium,DrugBank,drug,[Ca++].NC(N)=O.CC(=O)OC1=CC=CC=C1C([O-])=O.CC(=O)OC1=CC=CC=C1C([O-])=O,DRUG_2547
2548,2548,2548,2548,2548,2548,2548,2548,DB06533,Ragaglitazar,DrugBank,drug,CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O,DRUG_2548
2549,2549,2549,2549,2549,2549,2549,2549,DB03082,6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide,DrugBank,drug,NCC1=CC=C(NC(=O)C2=CC(NC3=NC=CC=N3)=C3C=C(C=CC3=C2)C(N)=N)C=C1,DRUG_2549
2550,2550,2550,2550,2550,2550,2550,2550,DB11127,Selenious acid,DrugBank,drug,O[Se](O)=O,DRUG_2550
2551,2551,2551,2551,2551,2551,2551,2551,DB07400,1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE,DrugBank,drug,[H][C@](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)N1CCC[C@@]1([H])C(=O)NNCCCCN,DRUG_2551
2552,2552,2552,2552,2552,2552,2552,2552,DB07133,D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(C)=CC=C1,DRUG_2552
2553,2553,2553,2553,2553,2553,2553,2553,DB02473,"6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DrugBank,drug,CC(C)C1=NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,DRUG_2553
2554,2554,2554,2554,2554,2554,2554,2554,DB02077,L-N(omega)-nitroarginine-(4R)-amino-L-proline amide,DrugBank,drug,N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O,DRUG_2554
2555,2555,2555,2555,2555,2555,2555,2555,DB13077,Delpazolid,DrugBank,drug,CN1CCN(C=N1)C1=CC=C(C=C1F)N1C[C@H](CO)OC1=O,DRUG_2555
2556,2556,2556,2556,2556,2556,2556,2556,DB04166,Anthranilic acid,DrugBank,drug,NC1=CC=CC=C1C(O)=O,DRUG_2556
2557,2557,2557,2557,2557,2557,2557,2557,DB07698,"3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine",DrugBank,drug,NC1=CC=CC(=C1)C1=C2N=C(NC3=CC=CC(Cl)=C3)C=CN2N=C1,DRUG_2557
2558,2558,2558,2558,2558,2558,2558,2558,DB06782,Dimercaprol,DrugBank,drug,OCC(S)CS,DRUG_2558
2559,2559,2559,2559,2559,2559,2559,2559,DB06921,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID,DrugBank,drug,[H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)C1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,DRUG_2559
2560,2560,2560,2560,2560,2560,2560,2560,DB03132,3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid,DrugBank,drug,OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2,DRUG_2560
2561,2561,2561,2561,2561,2561,2561,2561,DB15718,Bamlanivimab,DrugBank,drug,,DRUG_2561
2562,2562,2562,2562,2562,2562,2562,2562,DB08398,"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine",DrugBank,drug,CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1,DRUG_2562
2563,2563,2563,2563,2563,2563,2563,2563,DB01257,Eculizumab,DrugBank,drug,,DRUG_2563
2564,2564,2564,2564,2564,2564,2564,2564,DB03673,beta-2-Thienyl-L-alanine,DrugBank,drug,N[C@@H](CC1=CC=CS1)C(O)=O,DRUG_2564
2565,2565,2565,2565,2565,2565,2565,2565,DB12341,Aticaprant,DrugBank,drug,CC1=CC(=CC(C)=C1)[C@@H]1CCCN1CC1=CC=C(OC2=CC=C(C=C2F)C(N)=O)C=C1,DRUG_2565
2566,2566,2566,2566,2566,2566,2566,2566,DB15407,Acalisib,DrugBank,drug,C[C@H](NC1=NC=NC2=C1NC=N2)C1=NC2=C(C=C(F)C=C2)C(=O)N1C1=CC=CC=C1,DRUG_2566
2567,2567,2567,2567,2567,2567,2567,2567,DB06477,Sumanirole,DrugBank,drug,CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23,DRUG_2567
2568,2568,2568,2568,2568,2568,2568,2568,DB04882,Edotecarin,DrugBank,drug,OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O,DRUG_2568
2569,2569,2569,2569,2569,2569,2569,2569,DB01830,AP-22408,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O,DRUG_2569
2570,2570,2570,2570,2570,2570,2570,2570,DB07063,Lidorestat,DrugBank,drug,OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=CC=C2,DRUG_2570
2571,2571,2571,2571,2571,2571,2571,2571,DB00358,Mefloquine,DrugBank,drug,OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F,DRUG_2571
2572,2572,2572,2572,2572,2572,2572,2572,DB08008,"5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,CC1=NC2=NC=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1,DRUG_2572
2573,2573,2573,2573,2573,2573,2573,2573,DB13457,Oxaflozane,DrugBank,drug,CC(C)N1CCOC(C1)C1=CC=CC(=C1)C(F)(F)F,DRUG_2573
2574,2574,2574,2574,2574,2574,2574,2574,DB03225,D-Tryptophan,DrugBank,drug,N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O,DRUG_2574
2575,2575,2575,2575,2575,2575,2575,2575,DB04409,Naphthalene Trisulfonate,DrugBank,drug,[O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O,DRUG_2575
2576,2576,2576,2576,2576,2576,2576,2576,DB12433,SCH-900271,DrugBank,drug,CC1(CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3)CC1,DRUG_2576
2577,2577,2577,2577,2577,2577,2577,2577,DB00886,Omapatrilat,DrugBank,drug,[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O,DRUG_2577
2578,2578,2578,2578,2578,2578,2578,2578,DB08127,"1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene",DrugBank,drug,C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,DRUG_2578
2579,2579,2579,2579,2579,2579,2579,2579,DB14062,Concanamycin A,DrugBank,drug,[H][C@@]1(OC(=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]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C,DRUG_2579
2580,2580,2580,2580,2580,2580,2580,2580,DB15100,Cusatuzumab,DrugBank,drug,,DRUG_2580
2581,2581,2581,2581,2581,2581,2581,2581,DB05168,Vintafolide,DrugBank,drug,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,DRUG_2581
2582,2582,2582,2582,2582,2582,2582,2582,DB07954,3-isobutyl-1-methyl-7H-xanthine,DrugBank,drug,CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O,DRUG_2582
2583,2583,2583,2583,2583,2583,2583,2583,DB11563,Sebelipase alfa,DrugBank,drug,,DRUG_2583
2584,2584,2584,2584,2584,2584,2584,2584,DB17152,DRF-1042,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(C(OCCO)C3=CC4=CC=CC=C4N=C13)C2=O,DRUG_2584
2585,2585,2585,2585,2585,2585,2585,2585,DB06103,VX-148,DrugBank,drug,,DRUG_2585
2586,2586,2586,2586,2586,2586,2586,2586,DB07073,"5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one",DrugBank,drug,CC1(C)CC2=C(SC(=N2)N2CCOCC2)C(=O)C1,DRUG_2586
2587,2587,2587,2587,2587,2587,2587,2587,DB11454,Prostalene,DrugBank,drug,CCCCC[C@@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC=C=CCCC(=O)OC,DRUG_2587
2588,2588,2588,2588,2588,2588,2588,2588,DB01254,Dasatinib,DrugBank,drug,CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1,DRUG_2588
2589,2589,2589,2589,2589,2589,2589,2589,DB07038,2-(cyclohexylamino)benzoic acid,DrugBank,drug,OC(=O)C1=CC=CC=C1NC1CCCCC1,DRUG_2589
2590,2590,2590,2590,2590,2590,2590,2590,DB03759,FG-9041,DrugBank,drug,[O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O,DRUG_2590
2591,2591,2591,2591,2591,2591,2591,2591,DB01647,Daxalipram,DrugBank,drug,CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1,DRUG_2591
2592,2592,2592,2592,2592,2592,2592,2592,DB03556,"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400",DrugBank,drug,CCOCCOCCOCCOCCOCCOCCOCCOCCO,DRUG_2592
2593,2593,2593,2593,2593,2593,2593,2593,DB14989,Umbralisib,DrugBank,drug,CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2,DRUG_2593
2594,2594,2594,2594,2594,2594,2594,2594,DB02751,Glycocyamine,DrugBank,drug,NC(N)=NCC(O)=O,DRUG_2594
2595,2595,2595,2595,2595,2595,2595,2595,DB03978,Tyrosinal,DrugBank,drug,[H][C@](N)(CC1=CC=C(O)C=C1)C=O,DRUG_2595
2596,2596,2596,2596,2596,2596,2596,2596,DB17892,TAK-603,DrugBank,drug,CCOC(=O)C1=C(C2=CC=C(OC)C(OC)=C2)C2=CC(OC)=C(OC)C=C2N=C1CN1C=NC=N1,DRUG_2596
2597,2597,2597,2597,2597,2597,2597,2597,DB16346,Veliflapon,DrugBank,drug,OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1,DRUG_2597
2598,2598,2598,2598,2598,2598,2598,2598,DB01619,Phenindamine,DrugBank,drug,CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1,DRUG_2598
2599,2599,2599,2599,2599,2599,2599,2599,DB07533,"4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide",DrugBank,drug,CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,DRUG_2599
2600,2600,2600,2600,2600,2600,2600,2600,DB11976,Anifrolumab,DrugBank,drug,,DRUG_2600
2601,2601,2601,2601,2601,2601,2601,2601,DB12733,Dipraglurant,DrugBank,drug,FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1,DRUG_2601
2602,2602,2602,2602,2602,2602,2602,2602,DB16875,GSK-2982772,DrugBank,drug,CN1C2=CC=CC=C2OC[C@H](NC(=O)C2=NNC(CC3=CC=CC=C3)=N2)C1=O,DRUG_2602
2603,2603,2603,2603,2603,2603,2603,2603,DB02337,S-(D-Carboxybutyl)-L-Homocysteine,DrugBank,drug,N[C@@H](CCSCCCCC(O)=O)C(O)=O,DRUG_2603
2604,2604,2604,2604,2604,2604,2604,2604,DB02563,Hexanoyl-CoA,DrugBank,drug,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_2604
2605,2605,2605,2605,2605,2605,2605,2605,DB05961,PPL-100,DrugBank,drug,COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_2605
2606,2606,2606,2606,2606,2606,2606,2606,DB15137,VK-2809,DrugBank,drug,CC(C)C1=CC(CC2=C(C)C=C(OC[P@@]3(=O)OCC[C@H](O3)C3=CC=CC(Cl)=C3)C=C2C)=CC=C1O,DRUG_2606
2607,2607,2607,2607,2607,2607,2607,2607,DB03322,Dexpropranolol,DrugBank,drug,CC(C)NC[C@@H](O)COC1=CC=CC2=C1C=CC=C2,DRUG_2607
2608,2608,2608,2608,2608,2608,2608,2608,DB12039,Epicatechin,DrugBank,drug,O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1,DRUG_2608
2609,2609,2609,2609,2609,2609,2609,2609,DB00923,Ceforanide,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O,DRUG_2609
2610,2610,2610,2610,2610,2610,2610,2610,DB15031,Daridorexant,DrugBank,drug,COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1,DRUG_2610
2611,2611,2611,2611,2611,2611,2611,2611,DB00720,Clodronic acid,DrugBank,drug,OP(O)(=O)C(Cl)(Cl)P(O)(O)=O,DRUG_2611
2612,2612,2612,2612,2612,2612,2612,2612,DB03891,"Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate",DrugBank,drug,[H]N(N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)N([H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1,DRUG_2612
2613,2613,2613,2613,2613,2613,2613,2613,DB13274,Micronomicin,DrugBank,drug,CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1,DRUG_2613
2614,2614,2614,2614,2614,2614,2614,2614,DB15009,PF-04937319,DrugBank,drug,CN(C)C(=O)C1=NC=C(OC2=CC(=CC3=C2C=C(C)O3)C(=O)NC2=NC=C(C)N=C2)C=N1,DRUG_2614
2615,2615,2615,2615,2615,2615,2615,2615,DB03565,1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine,DrugBank,drug,[H][C@@](COCCCCCCCC)(COP(O)(=O)OCCN)OP(O)(=O)CCCCCCC,DRUG_2615
2616,2616,2616,2616,2616,2616,2616,2616,DB12436,Vofopitant,DrugBank,drug,COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F,DRUG_2616
2617,2617,2617,2617,2617,2617,2617,2617,DB09347,Acetrizoic acid,DrugBank,drug,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C=C1I,DRUG_2617
2618,2618,2618,2618,2618,2618,2618,2618,DB14072,Reversin 121,DrugBank,drug,CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C,DRUG_2618
2619,2619,2619,2619,2619,2619,2619,2619,DB02498,Carba-nicotinamide-adenine-dinucleotide,DrugBank,drug,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,DRUG_2619
2620,2620,2620,2620,2620,2620,2620,2620,DB00793,Haloprogin,DrugBank,drug,ClC1=CC(Cl)=C(Cl)C=C1OCC#CI,DRUG_2620
2621,2621,2621,2621,2621,2621,2621,2621,DB05998,T-5224,DrugBank,drug,OC(=O)CCC1=CC(=CC=C1OCC1=CC2=C(C=C1)C(O)=NO2)C(=O)C1=C(O)C=C(OC2CCCC2)C=C1,DRUG_2621
2622,2622,2622,2622,2622,2622,2622,2622,DB13359,Magnesium aspartate,DrugBank,drug,O.O.O.O.[Mg++].N[C@@H](CC(O)=O)C([O-])=O.N[C@@H](CC(O)=O)C([O-])=O,DRUG_2622
2623,2623,2623,2623,2623,2623,2623,2623,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)",DrugBank,drug,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],DRUG_2623
2624,2624,2624,2624,2624,2624,2624,2624,DB16707,Gavorestat,DrugBank,drug,OC(=O)CC1=NN(CC2=NC3=CC(=CC=C3S2)C(F)(F)F)C(=O)C2=CSC=C12,DRUG_2624
2625,2625,2625,2625,2625,2625,2625,2625,DB02779,Dodecyltrimethylammonium,DrugBank,drug,CCCCCCCCCCCC[N+](C)(C)C,DRUG_2625
2626,2626,2626,2626,2626,2626,2626,2626,DB05245,Silver sulfadiazine,DrugBank,drug,[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1,DRUG_2626
2627,2627,2627,2627,2627,2627,2627,2627,DB12935,Remogliflozin etabonate,DrugBank,drug,CCOC(=O)OC[C@H]1O[C@@H](OC2=NN(C(C)C)C(C)=C2CC2=CC=C(OC(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_2627
2628,2628,2628,2628,2628,2628,2628,2628,DB07601,"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol",DrugBank,drug,OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2,DRUG_2628
2629,2629,2629,2629,2629,2629,2629,2629,DB17602,Acecainide,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC=C(NC(C)=O)C=C1,DRUG_2629
2630,2630,2630,2630,2630,2630,2630,2630,DB05506,ISIS 113715,DrugBank,drug,,DRUG_2630
2631,2631,2631,2631,2631,2631,2631,2631,DB12236,Bexagliflozin,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(OCCOC3CC3)C=C2)=C1,DRUG_2631
2632,2632,2632,2632,2632,2632,2632,2632,DB00144,Phosphatidyl serine,DrugBank,drug,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,DRUG_2632
2633,2633,2633,2633,2633,2633,2633,2633,DB04270,(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid,DrugBank,drug,[H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O,DRUG_2633
2634,2634,2634,2634,2634,2634,2634,2634,DB00804,Dicyclomine,DrugBank,drug,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1,DRUG_2634
2635,2635,2635,2635,2635,2635,2635,2635,DB13925,Dotatate gallium Ga-68,DrugBank,drug,[68Ga+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,DRUG_2635
2636,2636,2636,2636,2636,2636,2636,2636,DB13738,Camylofin,DrugBank,drug,CCN(CC)CCNC(C(=O)OCCC(C)C)C1=CC=CC=C1,DRUG_2636
2637,2637,2637,2637,2637,2637,2637,2637,DB04505,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",DrugBank,drug,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1,DRUG_2637
2638,2638,2638,2638,2638,2638,2638,2638,DB16637,KW-2450 free base,DrugBank,drug,CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12,DRUG_2638
2639,2639,2639,2639,2639,2639,2639,2639,DB19434,Epoetin beta,DrugBank,drug,,DRUG_2639
2640,2640,2640,2640,2640,2640,2640,2640,DB13380,Difemerine,DrugBank,drug,CN(C)C(C)(C)COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2640
2641,2641,2641,2641,2641,2641,2641,2641,DB08151,"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol",DrugBank,drug,[H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_2641
2642,2642,2642,2642,2642,2642,2642,2642,DB11827,Ertugliflozin,DrugBank,drug,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1,DRUG_2642
2643,2643,2643,2643,2643,2643,2643,2643,DB00284,Acarbose,DrugBank,drug,[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO,DRUG_2643
2644,2644,2644,2644,2644,2644,2644,2644,DB08384,2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline,DrugBank,drug,C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1,DRUG_2644
2645,2645,2645,2645,2645,2645,2645,2645,DB04936,Tagatose,DrugBank,drug,OC[C@@H](O)[C@H](O)[C@H](O)C(=O)CO,DRUG_2645
2646,2646,2646,2646,2646,2646,2646,2646,DB03608,Diminazene,DrugBank,drug,NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1,DRUG_2646
2647,2647,2647,2647,2647,2647,2647,2647,DB15767,AMP-224,DrugBank,drug,,DRUG_2647
2648,2648,2648,2648,2648,2648,2648,2648,DB07471,"5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE",DrugBank,drug,[H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl,DRUG_2648
2649,2649,2649,2649,2649,2649,2649,2649,DB01566,Methylenedioxyethamphetamine,DrugBank,drug,CCNC(C)CC1=CC2=C(OCO2)C=C1,DRUG_2649
2650,2650,2650,2650,2650,2650,2650,2650,DB05966,TAS-108,DrugBank,drug,OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1,DRUG_2650
2651,2651,2651,2651,2651,2651,2651,2651,DB12258,Abicipar Pegol,DrugBank,drug,,DRUG_2651
2652,2652,2652,2652,2652,2652,2652,2652,DB16330,Simurosertib,DrugBank,drug,CC1=NNC=C1C1=CC2=C(S1)C(=O)NC(=N2)[C@@H]1CC2CCN1CC2,DRUG_2652
2653,2653,2653,2653,2653,2653,2653,2653,DB06645,Anamorelin,DrugBank,drug,CN(C)N(C)C(=O)[C@@]1(CC2=CC=CC=C2)CCCN(C1)C(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)C(C)(C)N,DRUG_2653
2654,2654,2654,2654,2654,2654,2654,2654,DB09125,Potassium citrate,DrugBank,drug,[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_2654
2655,2655,2655,2655,2655,2655,2655,2655,DB06774,Capsaicin,DrugBank,drug,COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1,DRUG_2655
2656,2656,2656,2656,2656,2656,2656,2656,DB13634,Pentifylline,DrugBank,drug,CCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,DRUG_2656
2657,2657,2657,2657,2657,2657,2657,2657,DB12037,Vedroprevir,DrugBank,drug,CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)O[C@@H]1C[C@@H]2C[C@@H]2C1)C(C)(C)C)OC1=C2C=CC(OCCN3CCOCC3)=C(Cl)C2=NC(=C1)C1=CSC(NC(C)C)=N1)C(O)=O,DRUG_2657
2658,2658,2658,2658,2658,2658,2658,2658,DB11040,Influenza B virus B/Brisbane/60/2008 hemagglutinin antigen (propiolactone inactivated),DrugBank,drug,,DRUG_2658
2659,2659,2659,2659,2659,2659,2659,2659,DB08813,Nadroparin,DrugBank,drug,,DRUG_2659
2660,2660,2660,2660,2660,2660,2660,2660,DB05932,Denibulin,DrugBank,drug,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2,DRUG_2660
2661,2661,2661,2661,2661,2661,2661,2661,DB01838,"6,4'-Dihydroxy-3-Methyl-3',5'-Dibromoflavone",DrugBank,drug,CC1=C(OC2=CC=C(O)C=C2C1=O)C1=CC(Br)=C(O)C(Br)=C1,DRUG_2661
2662,2662,2662,2662,2662,2662,2662,2662,DB12081,Anecortave,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_2662
2663,2663,2663,2663,2663,2663,2663,2663,DB00816,Orciprenaline,DrugBank,drug,CC(C)NCC(O)C1=CC(O)=CC(O)=C1,DRUG_2663
2664,2664,2664,2664,2664,2664,2664,2664,DB08484,4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCS,DRUG_2664
2665,2665,2665,2665,2665,2665,2665,2665,DB12111,MK-212,DrugBank,drug,ClC1=NC(=CN=C1)N1CCNCC1,DRUG_2665
2666,2666,2666,2666,2666,2666,2666,2666,DB05111,Fontolizumab,DrugBank,drug,,DRUG_2666
2667,2667,2667,2667,2667,2667,2667,2667,DB04185,Norvaline,DrugBank,drug,CCC[C@H](N)C(O)=O,DRUG_2667
2668,2668,2668,2668,2668,2668,2668,2668,DB13098,CT-2584,DrugBank,drug,CCCCCCCCCCCCNCC(O)CCCCCCCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,DRUG_2668
2669,2669,2669,2669,2669,2669,2669,2669,DB01138,Sulfinpyrazone,DrugBank,drug,O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2669
2670,2670,2670,2670,2670,2670,2670,2670,DB08133,N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1,DRUG_2670
2671,2671,2671,2671,2671,2671,2671,2671,DB11485,Ceftiofur,DrugBank,drug,[H][C@]12SCC(CSC(=O)C3=CC=CO3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_2671
2672,2672,2672,2672,2672,2672,2672,2672,DB12943,Milatuzumab,DrugBank,drug,,DRUG_2672
2673,2673,2673,2673,2673,2673,2673,2673,DB00130,L-Glutamine,DrugBank,drug,N[C@@H](CCC(N)=O)C(O)=O,DRUG_2673
2674,2674,2674,2674,2674,2674,2674,2674,DB04218,1-Deaza-Adenosine,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_2674
2675,2675,2675,2675,2675,2675,2675,2675,DB06245,Lanoteplase,DrugBank,drug,,DRUG_2675
2676,2676,2676,2676,2676,2676,2676,2676,DB00873,Loteprednol,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2676
2677,2677,2677,2677,2677,2677,2677,2677,DB04639,Biphenylalanine,DrugBank,drug,[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,DRUG_2677
2678,2678,2678,2678,2678,2678,2678,2678,DB08640,"(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",DrugBank,drug,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,DRUG_2678
2679,2679,2679,2679,2679,2679,2679,2679,DB01509,Tenamfetamine,DrugBank,drug,CC(N)CC1=CC2=C(OCO2)C=C1,DRUG_2679
2680,2680,2680,2680,2680,2680,2680,2680,DB02338,NADPH,DrugBank,drug,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,DRUG_2680
2681,2681,2681,2681,2681,2681,2681,2681,DB12832,Prednimustine,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCCC3=CC=C(C=C3)N(CCCl)CCCl)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2681
2682,2682,2682,2682,2682,2682,2682,2682,DB06767,Ammonium chloride,DrugBank,drug,[NH4+].[Cl-],DRUG_2682
2683,2683,2683,2683,2683,2683,2683,2683,DB03115,"5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide",DrugBank,drug,[H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1,DRUG_2683
2684,2684,2684,2684,2684,2684,2684,2684,DB08786,4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine,DrugBank,drug,COCCOC1=NC(N)=NC(C)=C1,DRUG_2684
2685,2685,2685,2685,2685,2685,2685,2685,DB06713,Norelgestromin,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO,DRUG_2685
2686,2686,2686,2686,2686,2686,2686,2686,DB04669,TRIAZOLOPYRIMIDINE,DrugBank,drug,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1,DRUG_2686
2687,2687,2687,2687,2687,2687,2687,2687,DB12388,Evocalcet,DrugBank,drug,C[C@@H](N[C@H]1CCN(C1)C1=CC=C(CC(O)=O)C=C1)C1=C2C=CC=CC2=CC=C1,DRUG_2687
2688,2688,2688,2688,2688,2688,2688,2688,DB00574,Fenfluramine,DrugBank,drug,CCNC(C)CC1=CC=CC(=C1)C(F)(F)F,DRUG_2688
2689,2689,2689,2689,2689,2689,2689,2689,DB11089,Docusate,DrugBank,drug,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O,DRUG_2689
2690,2690,2690,2690,2690,2690,2690,2690,DB05659,Faropenem medoxomil,DrugBank,drug,[H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCC1=C(C)OC(=O)O1)[C@@]1([H])CCCO1,DRUG_2690
2691,2691,2691,2691,2691,2691,2691,2691,DB04471,"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",DrugBank,drug,OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1,DRUG_2691
2692,2692,2692,2692,2692,2692,2692,2692,DB02854,Aetiocholanolone,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C,DRUG_2692
2693,2693,2693,2693,2693,2693,2693,2693,DB02740,3-Indolebutyric Acid,DrugBank,drug,OC(=O)CCCC1=CNC2=C1C=CC=C2,DRUG_2693
2694,2694,2694,2694,2694,2694,2694,2694,DB09555,Dexchlorpheniramine maleate,DrugBank,drug,OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1,DRUG_2694
2695,2695,2695,2695,2695,2695,2695,2695,DB11776,Brodalumab,DrugBank,drug,,DRUG_2695
2696,2696,2696,2696,2696,2696,2696,2696,DB03401,"1D-myo-inositol 1,4,5-trisphosphate",DrugBank,drug,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,DRUG_2696
2697,2697,2697,2697,2697,2697,2697,2697,DB19281,Licochalcone A,DrugBank,drug,COC1=CC(O)=C(C=C1\C=C\C(=O)C1=CC=C(O)C=C1)C(C)(C)C=C,DRUG_2697
2698,2698,2698,2698,2698,2698,2698,2698,DB11493,Sodium tripolyphosphate,DrugBank,drug,[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O,DRUG_2698
2699,2699,2699,2699,2699,2699,2699,2699,DB02177,1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine,DrugBank,drug,CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O,DRUG_2699
2700,2700,2700,2700,2700,2700,2700,2700,DB01355,Hexobarbital,DrugBank,drug,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1,DRUG_2700
2701,2701,2701,2701,2701,2701,2701,2701,DB16826,Repotrectinib,DrugBank,drug,C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2,DRUG_2701
2702,2702,2702,2702,2702,2702,2702,2702,DB00338,Omeprazole,DrugBank,drug,COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C,DRUG_2702
2703,2703,2703,2703,2703,2703,2703,2703,DB05046,V1003,DrugBank,drug,,DRUG_2703
2704,2704,2704,2704,2704,2704,2704,2704,DB15357,Xanomeline,DrugBank,drug,CCCCCCOC1=NSN=C1C1=CCCN(C)C1,DRUG_2704
2705,2705,2705,2705,2705,2705,2705,2705,DB09290,Ramosetron,DrugBank,drug,CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2,DRUG_2705
2706,2706,2706,2706,2706,2706,2706,2706,DB09526,Hydroquinone,DrugBank,drug,OC1=CC=C(O)C=C1,DRUG_2706
2707,2707,2707,2707,2707,2707,2707,2707,DB13852,Mefenorex,DrugBank,drug,CC(CC1=CC=CC=C1)NCCCCl,DRUG_2707
2708,2708,2708,2708,2708,2708,2708,2708,DB08610,N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE,DrugBank,drug,CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1,DRUG_2708
2709,2709,2709,2709,2709,2709,2709,2709,DB12345,MBX-2982,DrugBank,drug,CCC1=CN=C(N=C1)N1CCC(CC1)C1=NC(COC2=CC=C(C=C2)N2C=NN=N2)=CS1,DRUG_2709
2710,2710,2710,2710,2710,2710,2710,2710,DB14056,Nigericin,DrugBank,drug,[H][C@@]1(C[C@H](C)[C@@]([H])(O1)[C@]1(C)CC[C@@]([H])(O1)[C@]1(C)C[C@@H](C)[C@]2(O1)O[C@]([H])(C[C@@]1([H])CC[C@H](C)[C@@]([H])(O1)[C@@H](C)C(O)=O)C[C@@H](OC)[C@H]2C)[C@@]1([H])O[C@@](O)(CO)[C@H](C)C[C@@H]1C,DRUG_2710
2711,2711,2711,2711,2711,2711,2711,2711,DB06029,BF-1,DrugBank,drug,CCOC1=CC2=C(C=C1)C(=C1CCN(C)CC1)C1=C(OC)C=CC=C1S2,DRUG_2711
2712,2712,2712,2712,2712,2712,2712,2712,DB07446,N-(biphenyl-4-ylsulfonyl)-D-leucine,DrugBank,drug,[H][C@](CC(C)C)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,DRUG_2712
2713,2713,2713,2713,2713,2713,2713,2713,DB04562,Tricarballylic acid,DrugBank,drug,OC(=O)CC(CC(O)=O)C(O)=O,DRUG_2713
2714,2714,2714,2714,2714,2714,2714,2714,DB06925,3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE,DrugBank,drug,CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,DRUG_2714
2715,2715,2715,2715,2715,2715,2715,2715,DB17749,AQ-13,DrugBank,drug,Cl.Cl.CCN(CC)CCCNC1=CC=NC2=CC(Cl)=CC=C12,DRUG_2715
2716,2716,2716,2716,2716,2716,2716,2716,DB03609,3'-deoxyguanosine,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O,DRUG_2716
2717,2717,2717,2717,2717,2717,2717,2717,DB00407,Ardeparin,DrugBank,drug,,DRUG_2717
2718,2718,2718,2718,2718,2718,2718,2718,DB03341,CoA-S-acetyl 5-bromotryptamine,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=C4C=C(Br)C=C5)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_2718
2719,2719,2719,2719,2719,2719,2719,2719,DB00710,Ibandronate,DrugBank,drug,CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_2719
2720,2720,2720,2720,2720,2720,2720,2720,DB11075,Hypromellose,DrugBank,drug,,DRUG_2720
2721,2721,2721,2721,2721,2721,2721,2721,DB12567,Camicinal,DrugBank,drug,C[C@H]1CN(CC2=CC=C(CC(=O)N3CCC(CC3)NC3=CC=CC(F)=C3)C=C2)CCN1,DRUG_2721
2722,2722,2722,2722,2722,2722,2722,2722,DB04254,"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine",DrugBank,drug,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12,DRUG_2722
2723,2723,2723,2723,2723,2723,2723,2723,DB00596,Ulobetasol,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_2723
2724,2724,2724,2724,2724,2724,2724,2724,DB11812,Talaporfin,DrugBank,drug,CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C3\N\C(=C/C1=N2)C(C)=C3C(O)=O,DRUG_2724
2725,2725,2725,2725,2725,2725,2725,2725,DB07469,"(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DrugBank,drug,CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,DRUG_2725
2726,2726,2726,2726,2726,2726,2726,2726,DB12418,Saccharin,DrugBank,drug,O=C1NS(=O)(=O)C2=C1C=CC=C2,DRUG_2726
2727,2727,2727,2727,2727,2727,2727,2727,DB03958,7-methyl-guanosine-5'-triphosphate-5'-guanosine,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN(C)C3=C2N([H])C(=NC3=O)N([H])[H])[C@@H](O)[C@H]1O,DRUG_2727
2728,2728,2728,2728,2728,2728,2728,2728,DB00117,Histidine,DrugBank,drug,N[C@@H](CC1=CNC=N1)C(O)=O,DRUG_2728
2729,2729,2729,2729,2729,2729,2729,2729,DB07264,(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE,DrugBank,drug,[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1,DRUG_2729
2730,2730,2730,2730,2730,2730,2730,2730,DB18307,VLX-1005,DrugBank,drug,COC1=CC=CC(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC3=CC=CC=C3S2)=C1O,DRUG_2730
2731,2731,2731,2731,2731,2731,2731,2731,DB00898,Ethanol,DrugBank,drug,CCO,DRUG_2731
2732,2732,2732,2732,2732,2732,2732,2732,DB01914,D-glucose,DrugBank,drug,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C=O,DRUG_2732
2733,2733,2733,2733,2733,2733,2733,2733,DB05417,GW 468816,DrugBank,drug,,DRUG_2733
2734,2734,2734,2734,2734,2734,2734,2734,DB07901,5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE,DrugBank,drug,CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1,DRUG_2734
2735,2735,2735,2735,2735,2735,2735,2735,DB05198,CYC116,DrugBank,drug,,DRUG_2735
2736,2736,2736,2736,2736,2736,2736,2736,DB15065,PF-06291874,DrugBank,drug,CCC[C@H](OC1=CC(C)=C(N2C=C(C=N2)C(F)(F)F)C(C)=C1)C1=CC=C(C=C1)C(=O)NCCC(O)=O,DRUG_2736
2737,2737,2737,2737,2737,2737,2737,2737,DB13546,Nizofenone,DrugBank,drug,CCN(CC)CC1=NC=CN1C1=C(C=C(C=C1)N(=O)=O)C(=O)C1=CC=CC=C1Cl,DRUG_2737
2738,2738,2738,2738,2738,2738,2738,2738,DB15347,Branebrutinib,DrugBank,drug,CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O,DRUG_2738
2739,2739,2739,2739,2739,2739,2739,2739,DB07735,"N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",DrugBank,drug,COC1=CC=CC(OC)=C1CN1CCC(CC1)NC(=O)CCCS,DRUG_2739
2740,2740,2740,2740,2740,2740,2740,2740,DB00067,Vasopressin,DrugBank,drug,,DRUG_2740
2741,2741,2741,2741,2741,2741,2741,2741,DB01712,"(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester",DrugBank,drug,CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)C1=CC=C(C)C=C1,DRUG_2741
2742,2742,2742,2742,2742,2742,2742,2742,DB11795,GSK-2636771,DrugBank,drug,CC1=NC2=C(C=C(C=C2N1CC1=C(C)C(=CC=C1)C(F)(F)F)N1CCOCC1)C(O)=O,DRUG_2742
2743,2743,2743,2743,2743,2743,2743,2743,DB11504,Caramiphen,DrugBank,drug,CCN(CC)CCOC(=O)C1(CCCC1)C1=CC=CC=C1,DRUG_2743
2744,2744,2744,2744,2744,2744,2744,2744,DB00490,Buspirone,DrugBank,drug,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1,DRUG_2744
2745,2745,2745,2745,2745,2745,2745,2745,DB07746,3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID,DrugBank,drug,CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C,DRUG_2745
2746,2746,2746,2746,2746,2746,2746,2746,DB04679,Human blood group H type 1 trisaccharide,DrugBank,drug,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_2746
2747,2747,2747,2747,2747,2747,2747,2747,DB10283,"Rabies virus inactivated antigen, A",DrugBank,drug,,DRUG_2747
2748,2748,2748,2748,2748,2748,2748,2748,DB12874,Quizartinib,DrugBank,drug,CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1,DRUG_2748
2749,2749,2749,2749,2749,2749,2749,2749,DB12835,Olipudase alfa,DrugBank,drug,,DRUG_2749
2750,2750,2750,2750,2750,2750,2750,2750,DB04842,Fluspirilene,DrugBank,drug,FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1,DRUG_2750
2751,2751,2751,2751,2751,2751,2751,2751,DB06936,N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_2751
2752,2752,2752,2752,2752,2752,2752,2752,DB08070,2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE,DrugBank,drug,CC1=NNC=C1C1=CC=C(CCN)C=C1,DRUG_2752
2753,2753,2753,2753,2753,2753,2753,2753,DB07112,N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE,DrugBank,drug,OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1,DRUG_2753
2754,2754,2754,2754,2754,2754,2754,2754,DB01893,N6-Benzyl Adenosine-5'-Diphosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_2754
2755,2755,2755,2755,2755,2755,2755,2755,DB01553,Cloxazolam,DrugBank,drug,ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1,DRUG_2755
2756,2756,2756,2756,2756,2756,2756,2756,DB11107,Potassium bitartrate,DrugBank,drug,[K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O,DRUG_2756
2757,2757,2757,2757,2757,2757,2757,2757,DB06709,Methacholine,DrugBank,drug,CC(C[N+](C)(C)C)OC(C)=O,DRUG_2757
2758,2758,2758,2758,2758,2758,2758,2758,DB12662,Naveglitazar,DrugBank,drug,CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O,DRUG_2758
2759,2759,2759,2759,2759,2759,2759,2759,DB06832,Prinaberel,DrugBank,drug,OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1,DRUG_2759
2760,2760,2760,2760,2760,2760,2760,2760,DB02447,"3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",DrugBank,drug,[H]N1C(=O)N(O)C(=O)[C@]11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_2760
2761,2761,2761,2761,2761,2761,2761,2761,DB04779,ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE,DrugBank,drug,CCS\C(CC1=CC=CC=C1)=N/OS(O)(=O)=O,DRUG_2761
2762,2762,2762,2762,2762,2762,2762,2762,DB12819,GSI-136,DrugBank,drug,CCC(CC)[C@@H](CO)NS(=O)(=O)C1=CC=C(Cl)S1,DRUG_2762
2763,2763,2763,2763,2763,2763,2763,2763,DB14952,Pamrevlumab,DrugBank,drug,,DRUG_2763
2764,2764,2764,2764,2764,2764,2764,2764,DB00627,Niacin,DrugBank,drug,OC(=O)C1=CN=CC=C1,DRUG_2764
2765,2765,2765,2765,2765,2765,2765,2765,DB05121,1D09C3,DrugBank,drug,,DRUG_2765
2766,2766,2766,2766,2766,2766,2766,2766,DB07856,6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE,DrugBank,drug,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,DRUG_2766
2767,2767,2767,2767,2767,2767,2767,2767,DB12755,Zoptarelin doxorubicin,DrugBank,drug,[H]OC[C@H](NC(=O)[C@H](CC1=CN([H])C2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O[H])C=C1)C(=O)N[C@H](CCCCNC(=O)CCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@@]2([H])C[C@H](N)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=CC=CC(OC)=C1C3=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,DRUG_2767
2768,2768,2768,2768,2768,2768,2768,2768,DB18314,Valemetostat,DrugBank,drug,[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)OC2=C(O1)C(C)=C(C=C2Cl)C(=O)NCC1=C(C)C=C(C)NC1=O,DRUG_2768
2769,2769,2769,2769,2769,2769,2769,2769,DB07598,"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE",DrugBank,drug,[H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1,DRUG_2769
2770,2770,2770,2770,2770,2770,2770,2770,DB11677,Triheptanoin,DrugBank,drug,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,DRUG_2770
2771,2771,2771,2771,2771,2771,2771,2771,DB06737,Zaltoprofen,DrugBank,drug,CC(C(O)=O)C1=CC=C2SC3=C(C=CC=C3)C(=O)CC2=C1,DRUG_2771
2772,2772,2772,2772,2772,2772,2772,2772,DB08018,"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE",DrugBank,drug,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1,DRUG_2772
2773,2773,2773,2773,2773,2773,2773,2773,DB16349,Vicagrel,DrugBank,drug,COC(=O)[C@@H](N1CCC2=C(C1)C=C(OC(C)=O)S2)C1=C(Cl)C=CC=C1,DRUG_2773
2774,2774,2774,2774,2774,2774,2774,2774,DB00153,Ergocalciferol,DrugBank,drug,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,DRUG_2774
2775,2775,2775,2775,2775,2775,2775,2775,DB12239,Balicatib,DrugBank,drug,CCCN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1(CCCCC1)C(=O)NCC#N,DRUG_2775
2776,2776,2776,2776,2776,2776,2776,2776,DB13341,Fenozolone,DrugBank,drug,CCNC1=NC(=O)C(O1)C1=CC=CC=C1,DRUG_2776
2777,2777,2777,2777,2777,2777,2777,2777,DB09046,Metreleptin,DrugBank,drug,,DRUG_2777
2778,2778,2778,2778,2778,2778,2778,2778,DB15356,SLV-334,DrugBank,drug,OC(=O)CN1C2=CC=CC=C2CC[C@H](NC(=O)C2(C[C@@H](CCC3=CC=CC4=CC=CC=C34)C(O)=O)CCCC2)C1=O,DRUG_2778
2779,2779,2779,2779,2779,2779,2779,2779,DB07284,"N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE",DrugBank,drug,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CN=CC=C1,DRUG_2779
2780,2780,2780,2780,2780,2780,2780,2780,DB09328,Vayarin,DrugBank,drug,,DRUG_2780
2781,2781,2781,2781,2781,2781,2781,2781,DB01000,Cyclacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O,DRUG_2781
2782,2782,2782,2782,2782,2782,2782,2782,DB04607,"PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE",DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1,DRUG_2782
2783,2783,2783,2783,2783,2783,2783,2783,DB03966,Clorobiocin,DrugBank,drug,CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC2=C(Cl)C3=C(C=C2)C(O)=C(NC(=O)C2=CC(CC=C(C)C)=C(O)C=C2)C(=O)O3)OC1(C)C,DRUG_2783
2784,2784,2784,2784,2784,2784,2784,2784,DB08730,3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE,DrugBank,drug,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,DRUG_2784
2785,2785,2785,2785,2785,2785,2785,2785,DB13454,Nicomorphine,DrugBank,drug,[H][C@@]12OC3=C(OC(=O)C4=CN=CC=C4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])OC(=O)C1=CN=CC=C1,DRUG_2785
2786,2786,2786,2786,2786,2786,2786,2786,DB00281,Lidocaine,DrugBank,drug,CCN(CC)CC(=O)NC1=C(C)C=CC=C1C,DRUG_2786
2787,2787,2787,2787,2787,2787,2787,2787,DB14185,Aripiprazole lauroxil,DrugBank,drug,CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12,DRUG_2787
2788,2788,2788,2788,2788,2788,2788,2788,DB05303,OMS-103HP,DrugBank,drug,,DRUG_2788
2789,2789,2789,2789,2789,2789,2789,2789,DB06909,"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide",DrugBank,drug,CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1,DRUG_2789
2790,2790,2790,2790,2790,2790,2790,2790,DB07786,"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE",DrugBank,drug,[H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O,DRUG_2790
2791,2791,2791,2791,2791,2791,2791,2791,DB00181,Baclofen,DrugBank,drug,NCC(CC(O)=O)C1=CC=C(Cl)C=C1,DRUG_2791
2792,2792,2792,2792,2792,2792,2792,2792,DB01953,Inhibitor of P38 Kinase,DrugBank,drug,C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12,DRUG_2792
2793,2793,2793,2793,2793,2793,2793,2793,DB13003,Cortivazol,DrugBank,drug,C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1,DRUG_2793
2794,2794,2794,2794,2794,2794,2794,2794,DB09064,Ciprofibrate,DrugBank,drug,CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O,DRUG_2794
2795,2795,2795,2795,2795,2795,2795,2795,DB09242,Moxonidine,DrugBank,drug,COC1=NC(C)=NC(Cl)=C1NC1=NCCN1,DRUG_2795
2796,2796,2796,2796,2796,2796,2796,2796,DB12507,Atecegatran metoxil,DrugBank,drug,CO\N=C(/N)C1=CC=C(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)C2=CC(OC(F)F)=CC(Cl)=C2)C=C1,DRUG_2796
2797,2797,2797,2797,2797,2797,2797,2797,DB01651,"Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside",DrugBank,drug,[H][C@@]12CO[C@](C)(O[C@]1([H])[C@H](O)[C@@H](O)[C@H](OC)O2)C(O)=O,DRUG_2797
2798,2798,2798,2798,2798,2798,2798,2798,DB00771,Clidinium,DrugBank,drug,C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2798
2799,2799,2799,2799,2799,2799,2799,2799,DB19312,Sipoglitazar,DrugBank,drug,CCOC1=NN(CC2=CC=C(OCC3=CSC(=N3)C3=CC=CC=C3)C=C2)C=C1CCC(O)=O,DRUG_2799
2800,2800,2800,2800,2800,2800,2800,2800,DB07236,3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL,DrugBank,drug,OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2,DRUG_2800
2801,2801,2801,2801,2801,2801,2801,2801,DB12369,Sotrastaurin,DrugBank,drug,CN1CCN(CC1)C1=NC(C2=C(C(=O)NC2=O)C2=CNC3=C2C=CC=C3)=C2C=CC=CC2=N1,DRUG_2801
2802,2802,2802,2802,2802,2802,2802,2802,DB12909,Factor XIII (human),DrugBank,drug,,DRUG_2802
2803,2803,2803,2803,2803,2803,2803,2803,DB09111,Pentastarch,DrugBank,drug,,DRUG_2803
2804,2804,2804,2804,2804,2804,2804,2804,DB02715,Compound 18,DrugBank,drug,[H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,DRUG_2804
2805,2805,2805,2805,2805,2805,2805,2805,DB12991,Deoxyspergualin,DrugBank,drug,NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N,DRUG_2805
2806,2806,2806,2806,2806,2806,2806,2806,DB16474,Pam2csk4,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC,DRUG_2806
2807,2807,2807,2807,2807,2807,2807,2807,DB11732,Lasmiditan,DrugBank,drug,CN1CCC(CC1)C(=O)C1=CC=CC(NC(=O)C2=C(F)C=C(F)C=C2F)=N1,DRUG_2807
2808,2808,2808,2808,2808,2808,2808,2808,DB06077,Lumateperone,DrugBank,drug,[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C,DRUG_2808
2809,2809,2809,2809,2809,2809,2809,2809,DB04851,Biricodar,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1,DRUG_2809
2810,2810,2810,2810,2810,2810,2810,2810,DB03144,N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine,DrugBank,drug,N[C@@H](CCCNC(=N)NO)C(O)=O,DRUG_2810
2811,2811,2811,2811,2811,2811,2811,2811,DB05452,PH-284,DrugBank,drug,,DRUG_2811
2812,2812,2812,2812,2812,2812,2812,2812,DB16068,BTRX-335140,DrugBank,drug,CCC1=CC(F)=C2N=C(N3CCC(CC3)NC3CCOCC3)C(C3=NC(C)=NO3)=C(C)C2=C1,DRUG_2812
2813,2813,2813,2813,2813,2813,2813,2813,DB00169,Cholecalciferol,DrugBank,drug,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,DRUG_2813
2814,2814,2814,2814,2814,2814,2814,2814,DB04849,Cediranib,DrugBank,drug,COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1,DRUG_2814
2815,2815,2815,2815,2815,2815,2815,2815,DB01434,19-norandrostenedione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_2815
2816,2816,2816,2816,2816,2816,2816,2816,DB00356,Chlorzoxazone,DrugBank,drug,ClC1=CC2=C(OC(=O)N2)C=C1,DRUG_2816
2817,2817,2817,2817,2817,2817,2817,2817,DB16325,Selodenoson,DrugBank,drug,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2NC1CCCC1,DRUG_2817
2818,2818,2818,2818,2818,2818,2818,2818,DB05369,HZT-501,DrugBank,drug,,DRUG_2818
2819,2819,2819,2819,2819,2819,2819,2819,DB12842,Pegamotecan,DrugBank,drug,,DRUG_2819
2820,2820,2820,2820,2820,2820,2820,2820,DB16134,Denagliptin,DrugBank,drug,N[C@@H](C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1)C(=O)N1C[C@@H](F)C[C@H]1C#N,DRUG_2820
2821,2821,2821,2821,2821,2821,2821,2821,DB06148,Mianserin,DrugBank,drug,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21,DRUG_2821
2822,2822,2822,2822,2822,2822,2822,2822,DB08529,"(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)",DrugBank,drug,CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O,DRUG_2822
2823,2823,2823,2823,2823,2823,2823,2823,DB12888,Ezutromid,DrugBank,drug,CCS(=O)(=O)C1=CC=C2OC(=NC2=C1)C1=CC=C2C=CC=CC2=C1,DRUG_2823
2824,2824,2824,2824,2824,2824,2824,2824,DB04463,"3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol",DrugBank,drug,CC(C)(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=CC(O)=C1,DRUG_2824
2825,2825,2825,2825,2825,2825,2825,2825,DB01771,CRA_10991,DrugBank,drug,NC(=[NH2+])C1=C(Cl)C=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],DRUG_2825
2826,2826,2826,2826,2826,2826,2826,2826,DB07614,"PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE",DrugBank,drug,N1C=CC(=N1)C1=CN=C(S1)C1=CC=CC=C1,DRUG_2826
2827,2827,2827,2827,2827,2827,2827,2827,DB02567,PD173955,DrugBank,drug,CSC1=CC=CC(NC2=NC=C3C=C(C(=O)N(C)C3=N2)C2=C(Cl)C=CC=C2Cl)=C1,DRUG_2827
2828,2828,2828,2828,2828,2828,2828,2828,DB03506,"5H-pyrrolo[3,2-d]pyrimidin-4-amine",DrugBank,drug,NC1=NC=NC2=C1NC=C2,DRUG_2828
2829,2829,2829,2829,2829,2829,2829,2829,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",DrugBank,drug,[H][C@]12CC[C@]3(C)C(=O)N(CC4=CC=CN=C4)C(=O)C[C@@]3([H])[C@]1([H])CCC1=C2C=CC(OS(N)(=O)=O)=C1,DRUG_2829
2830,2830,2830,2830,2830,2830,2830,2830,DB04014,Alsterpaullone,DrugBank,drug,[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1,DRUG_2830
2831,2831,2831,2831,2831,2831,2831,2831,DB15203,JNJ-26489112,DrugBank,drug,NS(=O)(=O)NC[C@H]1COC2=C(O1)C=CC(Cl)=C2,DRUG_2831
2832,2832,2832,2832,2832,2832,2832,2832,DB13746,Bioallethrin,DrugBank,drug,CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,DRUG_2832
2833,2833,2833,2833,2833,2833,2833,2833,DB12328,Cantharidin,DrugBank,drug,[H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C,DRUG_2833
2834,2834,2834,2834,2834,2834,2834,2834,DB13294,Azidamfenicol,DrugBank,drug,OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,DRUG_2834
2835,2835,2835,2835,2835,2835,2835,2835,DB08831,2-deoxyglucose,DrugBank,drug,OC[C@@H](O)[C@@H](O)[C@H](O)CC=O,DRUG_2835
2836,2836,2836,2836,2836,2836,2836,2836,DB11995,Avatrombopag,DrugBank,drug,OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1,DRUG_2836
2837,2837,2837,2837,2837,2837,2837,2837,DB02164,N-sulfo-flavin mononucleotide,DrugBank,drug,[H]N1C(=O)N=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=C(C=C(C)C(C)=C3)[N+](=C2C1=O)S([O-])(=O)=O,DRUG_2837
2838,2838,2838,2838,2838,2838,2838,2838,DB13286,Bumadizone,DrugBank,drug,CCCCC(C(O)=O)C(=O)N(NC1=CC=CC=C1)C1=CC=CC=C1,DRUG_2838
2839,2839,2839,2839,2839,2839,2839,2839,DB15954,Strychnine,DrugBank,drug,[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H],DRUG_2839
2840,2840,2840,2840,2840,2840,2840,2840,DB07373,Boldione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_2840
2841,2841,2841,2841,2841,2841,2841,2841,DB12022,Evatanepag,DrugBank,drug,CC(C)(C)C1=CC=C(CN(CC2=CC=CC(OCC(O)=O)=C2)S(=O)(=O)C2=CC=CN=C2)C=C1,DRUG_2841
2842,2842,2842,2842,2842,2842,2842,2842,DB02996,2-(Thiomethylene)-4-Methylpentanoic Acid,DrugBank,drug,[H][C@](CS)(CC(C)C)C(O)=O,DRUG_2842
2843,2843,2843,2843,2843,2843,2843,2843,DB00185,Cevimeline,DrugBank,drug,CC1O[C@@]2(CS1)CN1CCC2CC1,DRUG_2843
2844,2844,2844,2844,2844,2844,2844,2844,DB09129,Chromic chloride,DrugBank,drug,[Cl-].[Cl-].[Cl-].[Cr+3],DRUG_2844
2845,2845,2845,2845,2845,2845,2845,2845,DB09246,Benmoxin,DrugBank,drug,CC(NNC(=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2845
2846,2846,2846,2846,2846,2846,2846,2846,DB08123,"N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide",DrugBank,drug,CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1,DRUG_2846
2847,2847,2847,2847,2847,2847,2847,2847,DB06827,Viomycin,DrugBank,drug,[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O,DRUG_2847
2848,2848,2848,2848,2848,2848,2848,2848,DB03740,N-acetyl-alpha-D-glucosamine,DrugBank,drug,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_2848
2849,2849,2849,2849,2849,2849,2849,2849,DB14963,Konjac mannan,DrugBank,drug,,DRUG_2849
2850,2850,2850,2850,2850,2850,2850,2850,DB14840,Ripretinib,DrugBank,drug,CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1,DRUG_2850
2851,2851,2851,2851,2851,2851,2851,2851,DB11474,Tulathromycin A,DrugBank,drug,[H][C@@]1(C[C@@](C)(OC)[C@](O)(CNCCC)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,DRUG_2851
2852,2852,2852,2852,2852,2852,2852,2852,DB04892,Phenserine,DrugBank,drug,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C,DRUG_2852
2853,2853,2853,2853,2853,2853,2853,2853,DB04652,Corticosterone,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO,DRUG_2853
2854,2854,2854,2854,2854,2854,2854,2854,DB12719,Turofexorate isopropyl,DrugBank,drug,CC(C)OC(=O)C1=CN(CC(C)(C)C2=C1NC1=CC=CC=C21)C(=O)C1=CC(F)=C(F)C=C1,DRUG_2854
2855,2855,2855,2855,2855,2855,2855,2855,DB12532,Oxetacaine,DrugBank,drug,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1,DRUG_2855
2856,2856,2856,2856,2856,2856,2856,2856,DB05882,CHF 4227,DrugBank,drug,,DRUG_2856
2857,2857,2857,2857,2857,2857,2857,2857,DB06892,"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide",DrugBank,drug,[H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1,DRUG_2857
2858,2858,2858,2858,2858,2858,2858,2858,DB16890,Betulin,DrugBank,drug,[H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C,DRUG_2858
2859,2859,2859,2859,2859,2859,2859,2859,DB12582,Piperine,DrugBank,drug,O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,DRUG_2859
2860,2860,2860,2860,2860,2860,2860,2860,DB11842,Angiotensin II,DrugBank,drug,,DRUG_2860
2861,2861,2861,2861,2861,2861,2861,2861,DB11306,Bentonite,DrugBank,drug,,DRUG_2861
2862,2862,2862,2862,2862,2862,2862,2862,DB07474,3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE,DrugBank,drug,CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1,DRUG_2862
2863,2863,2863,2863,2863,2863,2863,2863,DB15899,Maftivimab,DrugBank,drug,,DRUG_2863
2864,2864,2864,2864,2864,2864,2864,2864,DB06611,Pegsunercept,DrugBank,drug,,DRUG_2864
2865,2865,2865,2865,2865,2865,2865,2865,DB07628,"6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one",DrugBank,drug,CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2,DRUG_2865
2866,2866,2866,2866,2866,2866,2866,2866,DB02079,Aminooxyacetic acid,DrugBank,drug,NOCC(O)=O,DRUG_2866
2867,2867,2867,2867,2867,2867,2867,2867,DB07502,"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol",DrugBank,drug,OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O,DRUG_2867
2868,2868,2868,2868,2868,2868,2868,2868,DB00016,Erythropoietin,DrugBank,drug,,DRUG_2868
2869,2869,2869,2869,2869,2869,2869,2869,DB14659,Melengestrol acetate,DrugBank,drug,[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,DRUG_2869
2870,2870,2870,2870,2870,2870,2870,2870,DB13335,Pinazepam,DrugBank,drug,ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1,DRUG_2870
2871,2871,2871,2871,2871,2871,2871,2871,DB04068,"2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate",DrugBank,drug,[H]N1C(=O)C=CN([C@H]2C[C@]([H])(F)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C1=O,DRUG_2871
2872,2872,2872,2872,2872,2872,2872,2872,DB00295,Morphine,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,DRUG_2872
2873,2873,2873,2873,2873,2873,2873,2873,DB09344,Invert sugar,DrugBank,drug,,DRUG_2873
2874,2874,2874,2874,2874,2874,2874,2874,DB18252,Pralmorelin,DrugBank,drug,C[C@@H](N)C(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O,DRUG_2874
2875,2875,2875,2875,2875,2875,2875,2875,DB05744,CRx-139,DrugBank,drug,,DRUG_2875
2876,2876,2876,2876,2876,2876,2876,2876,DB03581,Glucose-6-Phosphate,DrugBank,drug,[H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_2876
2877,2877,2877,2877,2877,2877,2877,2877,DB08776,"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE",DrugBank,drug,CC(=O)NC1=NC2=C(S1)C(=O)NCCC2,DRUG_2877
2878,2878,2878,2878,2878,2878,2878,2878,DB07723,3-(5-methoxy-1H-indol-3-yl)propanoic acid,DrugBank,drug,COC1=CC=C2NC=C(CCC(O)=O)C2=C1,DRUG_2878
2879,2879,2879,2879,2879,2879,2879,2879,DB12525,Molgramostim,DrugBank,drug,,DRUG_2879
2880,2880,2880,2880,2880,2880,2880,2880,DB13537,Gitoformate,DrugBank,drug,C[C@H]1O[C@H](C[C@H](OC=O)[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@H]1OC=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C[C@]32O)OC=O)C2=CC(=O)OC2)C1,DRUG_2880
2881,2881,2881,2881,2881,2881,2881,2881,DB03057,Malonaldehyde,DrugBank,drug,[H]C(=O)CC([H])=O,DRUG_2881
2882,2882,2882,2882,2882,2882,2882,2882,DB00919,Spectinomycin,DrugBank,drug,[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2,DRUG_2882
2883,2883,2883,2883,2883,2883,2883,2883,DB05443,ADL 10-0101,DrugBank,drug,,DRUG_2883
2884,2884,2884,2884,2884,2884,2884,2884,DB07900,3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE,DrugBank,drug,[H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O,DRUG_2884
2885,2885,2885,2885,2885,2885,2885,2885,DB15126,IMG-7289,DrugBank,drug,CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]1C[C@H]1C1=CC=C(F)C=C1)NC(=O)C1=CC=C(C=C1)N1C=CN=N1,DRUG_2885
2886,2886,2886,2886,2886,2886,2886,2886,DB00353,Methylergometrine,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO,DRUG_2886
2887,2887,2887,2887,2887,2887,2887,2887,DB07517,3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC,DrugBank,drug,CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1,DRUG_2887
2888,2888,2888,2888,2888,2888,2888,2888,DB06409,Morphine glucuronide,DrugBank,drug,[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O,DRUG_2888
2889,2889,2889,2889,2889,2889,2889,2889,DB12299,Bavisant,DrugBank,drug,O=C(N1CCN(CC1)C1CC1)C1=CC=C(CN2CCOCC2)C=C1,DRUG_2889
2890,2890,2890,2890,2890,2890,2890,2890,DB11160,Phenyltoloxamine,DrugBank,drug,CN(C)CCOC1=CC=CC=C1CC1=CC=CC=C1,DRUG_2890
2891,2891,2891,2891,2891,2891,2891,2891,DB12987,Penclomedine,DrugBank,drug,COC1=C(Cl)C(OC)=C(Cl)C(=N1)C(Cl)(Cl)Cl,DRUG_2891
2892,2892,2892,2892,2892,2892,2892,2892,DB08010,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime",DrugBank,drug,O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12,DRUG_2892
2893,2893,2893,2893,2893,2893,2893,2893,DB06294,Semuloparin,DrugBank,drug,,DRUG_2893
2894,2894,2894,2894,2894,2894,2894,2894,DB11789,Hyodeoxycholic Acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,DRUG_2894
2895,2895,2895,2895,2895,2895,2895,2895,DB05446,LJP 1082,DrugBank,drug,NC(CCC(=O)NC(CSCO)C(=O)NCC(O)=O)C(O)=O,DRUG_2895
2896,2896,2896,2896,2896,2896,2896,2896,DB14849,Nebicapone,DrugBank,drug,OC1=C(O)C(=CC(=C1)C(=O)CC1=CC=CC=C1)[N+]([O-])=O,DRUG_2896
2897,2897,2897,2897,2897,2897,2897,2897,DB08762,O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID,DrugBank,drug,[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,DRUG_2897
2898,2898,2898,2898,2898,2898,2898,2898,DB01202,Levetiracetam,DrugBank,drug,CC[C@H](N1CCCC1=O)C(N)=O,DRUG_2898
2899,2899,2899,2899,2899,2899,2899,2899,DB13571,Pentamycin,DrugBank,drug,CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O,DRUG_2899
2900,2900,2900,2900,2900,2900,2900,2900,DB01377,Magnesium oxide,DrugBank,drug,[O--].[Mg++],DRUG_2900
2901,2901,2901,2901,2901,2901,2901,2901,DB08938,Magaldrate,DrugBank,drug,O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,DRUG_2901
2902,2902,2902,2902,2902,2902,2902,2902,DB04975,Banoxantrone,DrugBank,drug,C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,DRUG_2902
2903,2903,2903,2903,2903,2903,2903,2903,DB00415,Ampicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,DRUG_2903
2904,2904,2904,2904,2904,2904,2904,2904,DB16019,Gallium Ga-68 gozetotide,DrugBank,drug,[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC(CN(CCN(CC([O-])=O)CC2=C(O)C=CC(CCC([O-])=O)=C2)CC([O-])=O)=C(O)C=C1)C(O)=O)C(O)=O,DRUG_2904
2905,2905,2905,2905,2905,2905,2905,2905,DB07988,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide",DrugBank,drug,CNC(=O)[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)NC(=O)NC1=NN=C(S)S1,DRUG_2905
2906,2906,2906,2906,2906,2906,2906,2906,DB08986,Etifoxine,DrugBank,drug,CCNC1=NC2=CC=C(Cl)C=C2C(C)(O1)C1=CC=CC=C1,DRUG_2906
2907,2907,2907,2907,2907,2907,2907,2907,DB12752,Bucindolol,DrugBank,drug,CC(C)(CC1=CNC2=CC=CC=C12)NCC(O)COC1=CC=CC=C1C#N,DRUG_2907
2908,2908,2908,2908,2908,2908,2908,2908,DB06896,"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide",DrugBank,drug,FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O,DRUG_2908
2909,2909,2909,2909,2909,2909,2909,2909,DB13854,Gamolenic acid,DrugBank,drug,CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,DRUG_2909
2910,2910,2910,2910,2910,2910,2910,2910,DB16118,Capadenoson,DrugBank,drug,NC1=NC(SCC2=CSC(=N2)C2=CC=C(Cl)C=C2)=C(C#N)C(C2=CC=C(OCCO)C=C2)=C1C#N,DRUG_2910
2911,2911,2911,2911,2911,2911,2911,2911,DB15637,Fluzoparib,DrugBank,drug,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN2N=C(N=C2C1)C(F)(F)F,DRUG_2911
2912,2912,2912,2912,2912,2912,2912,2912,DB00451,Levothyroxine,DrugBank,drug,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,DRUG_2912
2913,2913,2913,2913,2913,2913,2913,2913,DB04682,Octylphenoxy polyethoxyethanol,DrugBank,drug,CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,DRUG_2913
2914,2914,2914,2914,2914,2914,2914,2914,DB00395,Carisoprodol,DrugBank,drug,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,DRUG_2914
2915,2915,2915,2915,2915,2915,2915,2915,DB06771,Besifloxacin,DrugBank,drug,N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O,DRUG_2915
2916,2916,2916,2916,2916,2916,2916,2916,DB01785,Dimethylallyl Diphosphate,DrugBank,drug,CC(C)=CCO[P@](O)(=O)OP(O)(O)=O,DRUG_2916
2917,2917,2917,2917,2917,2917,2917,2917,DB02289,2-Aminopropanedioic Acid,DrugBank,drug,NC(C(O)=O)C(O)=O,DRUG_2917
2918,2918,2918,2918,2918,2918,2918,2918,DB01127,Econazole,DrugBank,drug,ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_2918
2919,2919,2919,2919,2919,2919,2919,2919,DB05948,MD-0727,DrugBank,drug,,DRUG_2919
2920,2920,2920,2920,2920,2920,2920,2920,DB08056,"N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",DrugBank,drug,CC1=CC=CC(C)=C1NC1=NC=C(N2C=NC=C12)C1=CC=CC=C1,DRUG_2920
2921,2921,2921,2921,2921,2921,2921,2921,DB01939,5-Amidino-Benzimidazole,DrugBank,drug,NC(=[NH2+])C1=CC2=C(C=C1)N=CN2,DRUG_2921
2922,2922,2922,2922,2922,2922,2922,2922,DB11079,Trolamine salicylate,DrugBank,drug,OCCN(CCO)CCO.OC(=O)C1=CC=CC=C1O,DRUG_2922
2923,2923,2923,2923,2923,2923,2923,2923,DB15588,Ursolic acid,DrugBank,drug,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,DRUG_2923
2924,2924,2924,2924,2924,2924,2924,2924,DB13170,Plecanatide,DrugBank,drug,[H][C@@]12CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O,DRUG_2924
2925,2925,2925,2925,2925,2925,2925,2925,DB05408,Emricasan,DrugBank,drug,C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F,DRUG_2925
2926,2926,2926,2926,2926,2926,2926,2926,DB12594,AZD-9056,DrugBank,drug,OCCCNCCCC1=CC(C(=O)NCC23CC4CC(CC(C4)C2)C3)=C(Cl)C=C1,DRUG_2926
2927,2927,2927,2927,2927,2927,2927,2927,DB12839,Pegvaliase,DrugBank,drug,,DRUG_2927
2928,2928,2928,2928,2928,2928,2928,2928,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",DrugBank,drug,[H]N1C=C([C@H]2[C@H](O)[C@H](O)[C@@H](CSC)[N+]2([H])[H])C2=C1C(=O)N=CN2[H],DRUG_2928
2929,2929,2929,2929,2929,2929,2929,2929,DB08093,3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE,DrugBank,drug,NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1,DRUG_2929
2930,2930,2930,2930,2930,2930,2930,2930,DB12902,Trofosfamide,DrugBank,drug,ClCCN(CCCl)P1(=O)OCCCN1CCCl,DRUG_2930
2931,2931,2931,2931,2931,2931,2931,2931,DB03067,"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid",DrugBank,drug,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C2)C=C1)C(O)=O,DRUG_2931
2932,2932,2932,2932,2932,2932,2932,2932,DB16066,Ilacirnon,DrugBank,drug,CC1=CC(NS(=O)(=O)C2=CC=C(Cl)C(=C2)C(F)(F)F)=C(N=C1)C(=O)C1=C2C=CNC2=NC=N1,DRUG_2932
2933,2933,2933,2933,2933,2933,2933,2933,DB13431,Proglumide,DrugBank,drug,CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1=CC=CC=C1,DRUG_2933
2934,2934,2934,2934,2934,2934,2934,2934,DB05098,Leptin,DrugBank,drug,,DRUG_2934
2935,2935,2935,2935,2935,2935,2935,2935,DB08276,trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-),DrugBank,drug,,DRUG_2935
2936,2936,2936,2936,2936,2936,2936,2936,DB03016,CRA_1801,DrugBank,drug,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=C(O)C=CC=N1,DRUG_2936
2937,2937,2937,2937,2937,2937,2937,2937,DB11668,Rusalatide acetate,DrugBank,drug,,DRUG_2937
2938,2938,2938,2938,2938,2938,2938,2938,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",DrugBank,drug,[H][C@]1(O)C[N@]2[C@@]([H])(C1)[C@]1([H])C(=O)N(CC3=CC=C4OCOC4=C3)C(=O)[C@]1([H])[C@]2([H])C1=CC=C(C=C1)C(N)=N,DRUG_2938
2939,2939,2939,2939,2939,2939,2939,2939,DB06249,Arzoxifene,DrugBank,drug,COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,DRUG_2939
2940,2940,2940,2940,2940,2940,2940,2940,DB11588,Carbon monoxide,DrugBank,drug,[C-]#[O+],DRUG_2940
2941,2941,2941,2941,2941,2941,2941,2941,DB09081,Idebenone,DrugBank,drug,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,DRUG_2941
2942,2942,2942,2942,2942,2942,2942,2942,DB07272,"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE",DrugBank,drug,CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N,DRUG_2942
2943,2943,2943,2943,2943,2943,2943,2943,DB17043,PHA-767491,DrugBank,drug,OC1=NCCC2=C1C=C(N2)C1=CC=NC=C1,DRUG_2943
2944,2944,2944,2944,2944,2944,2944,2944,DB05004,Peptide YY (3-36),DrugBank,drug,,DRUG_2944
2945,2945,2945,2945,2945,2945,2945,2945,DB01527,Clortermine,DrugBank,drug,CC(C)(N)CC1=CC=CC=C1Cl,DRUG_2945
2946,2946,2946,2946,2946,2946,2946,2946,DB13319,Propenidazole,DrugBank,drug,CCOC(=O)C(=C\C1=NC=C(N1C)[N+]([O-])=O)\C(C)=O,DRUG_2946
2947,2947,2947,2947,2947,2947,2947,2947,DB07110,4-(4-FLUOROBENZYL)PIPERIDINE,DrugBank,drug,FC1=CC=C(CC2CCNCC2)C=C1,DRUG_2947
2948,2948,2948,2948,2948,2948,2948,2948,DB12379,Indirubin,DrugBank,drug,O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O,DRUG_2948
2949,2949,2949,2949,2949,2949,2949,2949,DB00222,Glimepiride,DrugBank,drug,CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O,DRUG_2949
2950,2950,2950,2950,2950,2950,2950,2950,DB11315,Methscopolamine,DrugBank,drug,C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_2950
2951,2951,2951,2951,2951,2951,2951,2951,DB16515,PLN-74809,DrugBank,drug,,DRUG_2951
2952,2952,2952,2952,2952,2952,2952,2952,DB04724,"(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide",DrugBank,drug,CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O,DRUG_2952
2953,2953,2953,2953,2953,2953,2953,2953,DB12184,Gepirone,DrugBank,drug,CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1,DRUG_2953
2954,2954,2954,2954,2954,2954,2954,2954,DB01472,4-Methoxyamphetamine,DrugBank,drug,COC1=CC=C(CC(C)N)C=C1,DRUG_2954
2955,2955,2955,2955,2955,2955,2955,2955,DB08909,Glycerol phenylbutyrate,DrugBank,drug,O=C(CCCC1=CC=CC=C1)OCC(COC(=O)CCCC1=CC=CC=C1)OC(=O)CCCC1=CC=CC=C1,DRUG_2955
2956,2956,2956,2956,2956,2956,2956,2956,DB03948,"6-Chloropurine Riboside, 5'-Monophosphate",DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(Cl)[NH+]=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_2956
2957,2957,2957,2957,2957,2957,2957,2957,DB01614,Acepromazine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O,DRUG_2957
2958,2958,2958,2958,2958,2958,2958,2958,DB00004,Denileukin diftitox,DrugBank,drug,,DRUG_2958
2959,2959,2959,2959,2959,2959,2959,2959,DB13351,Piperidolate,DrugBank,drug,CCN1CCCC(C1)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_2959
2960,2960,2960,2960,2960,2960,2960,2960,DB00653,Magnesium sulfate,DrugBank,drug,[Mg++].[O-]S([O-])(=O)=O,DRUG_2960
2961,2961,2961,2961,2961,2961,2961,2961,DB09232,Cilnidipine,DrugBank,drug,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1,DRUG_2961
2962,2962,2962,2962,2962,2962,2962,2962,DB13026,Ornidazole,DrugBank,drug,CC1=NC=C(N1CC(O)CCl)N(=O)=O,DRUG_2962
2963,2963,2963,2963,2963,2963,2963,2963,DB16884,Isonicotinic acid,DrugBank,drug,OC(=O)C1=CC=NC=C1,DRUG_2963
2964,2964,2964,2964,2964,2964,2964,2964,DB05532,BMS-488043,DrugBank,drug,COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1,DRUG_2964
2965,2965,2965,2965,2965,2965,2965,2965,DB12323,Radotinib,DrugBank,drug,CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=N3)=C2)=CC(=C1)C(F)(F)F,DRUG_2965
2966,2966,2966,2966,2966,2966,2966,2966,DB13871,Albendazole oxide,DrugBank,drug,CCCS(=O)C1=CC=C2NC(NC(=O)OC)=NC2=C1,DRUG_2966
2967,2967,2967,2967,2967,2967,2967,2967,DB14870,PF-5190457,DrugBank,drug,CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]4CCC5=C4C=CC(=C5)C4=CC(C)=NC=N4)CC3)N=C2S1,DRUG_2967
2968,2968,2968,2968,2968,2968,2968,2968,DB06237,Avanafil,DrugBank,drug,COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1,DRUG_2968
2969,2969,2969,2969,2969,2969,2969,2969,DB01033,Mercaptopurine,DrugBank,drug,S=C1N=CNC2=C1NC=N2,DRUG_2969
2970,2970,2970,2970,2970,2970,2970,2970,DB12555,Nelotanserin,DrugBank,drug,COC1=CC=C(NC(=O)NC2=CC=C(F)C=C2F)C=C1C1=C(Br)C=NN1C,DRUG_2970
2971,2971,2971,2971,2971,2971,2971,2971,DB04715,IMIDAZOPYRIDAZIN 1,DrugBank,drug,CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12,DRUG_2971
2972,2972,2972,2972,2972,2972,2972,2972,DB11413,Florfenicol,DrugBank,drug,CS(=O)(=O)C1=CC=C(C=C1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl,DRUG_2972
2973,2973,2973,2973,2973,2973,2973,2973,DB11663,Pictilisib,DrugBank,drug,CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C2=C3C=NNC3=CC=C2)N2CCOCC2)CC1,DRUG_2973
2974,2974,2974,2974,2974,2974,2974,2974,DB04195,Heptulose-2-Phosphate,DrugBank,drug,C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_2974
2975,2975,2975,2975,2975,2975,2975,2975,DB02637,Oxaloacetate Ion,DrugBank,drug,OC(=O)C(=O)CC([O-])=O,DRUG_2975
2976,2976,2976,2976,2976,2976,2976,2976,DB07020,"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide",DrugBank,drug,O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1,DRUG_2976
2977,2977,2977,2977,2977,2977,2977,2977,DB00654,Latanoprost,DrugBank,drug,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1,DRUG_2977
2978,2978,2978,2978,2978,2978,2978,2978,DB01348,Spirapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2,DRUG_2978
2979,2979,2979,2979,2979,2979,2979,2979,DB17080,KW-6356,DrugBank,drug,,DRUG_2979
2980,2980,2980,2980,2980,2980,2980,2980,DB13386,Epimestrol,DrugBank,drug,COC1=CC=C2[C@H]3CC[C@]4(C)[C@H](O)[C@H](O)C[C@H]4[C@@H]3CCC2=C1,DRUG_2980
2981,2981,2981,2981,2981,2981,2981,2981,DB08295,4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,DrugBank,drug,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1)[N+]([O-])=O,DRUG_2981
2982,2982,2982,2982,2982,2982,2982,2982,DB06714,Propylhexedrine,DrugBank,drug,CNC(C)CC1CCCCC1,DRUG_2982
2983,2983,2983,2983,2983,2983,2983,2983,DB08082,N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE,DrugBank,drug,OCCNC(=O)C1=CC=C(Cl)C=C1,DRUG_2983
2984,2984,2984,2984,2984,2984,2984,2984,DB01988,6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine,DrugBank,drug,C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1,DRUG_2984
2985,2985,2985,2985,2985,2985,2985,2985,DB01511,Delorazepam,DrugBank,drug,ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,DRUG_2985
2986,2986,2986,2986,2986,2986,2986,2986,DB16205,Ispronicline,DrugBank,drug,CN[C@@H](C)C\C=C\C1=CC(OC(C)C)=CN=C1,DRUG_2986
2987,2987,2987,2987,2987,2987,2987,2987,DB07947,ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE,DrugBank,drug,ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1,DRUG_2987
2988,2988,2988,2988,2988,2988,2988,2988,DB05798,GEM-231,DrugBank,drug,,DRUG_2988
2989,2989,2989,2989,2989,2989,2989,2989,DB00908,Quinidine,DrugBank,drug,[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1,DRUG_2989
2990,2990,2990,2990,2990,2990,2990,2990,DB06830,"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",DrugBank,drug,CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_2990
2991,2991,2991,2991,2991,2991,2991,2991,DB13540,Isepamicin,DrugBank,drug,[H][C@]1(O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@@]3([H])O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)NC(=O)[C@@H](O)CN)OC[C@](C)(O)[C@H](NC)[C@H]1O,DRUG_2991
2992,2992,2992,2992,2992,2992,2992,2992,DB13881,Tisagenlecleucel,DrugBank,drug,,DRUG_2992
2993,2993,2993,2993,2993,2993,2993,2993,DB01456,5-androstenedione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C,DRUG_2993
2994,2994,2994,2994,2994,2994,2994,2994,DB05078,AER001,DrugBank,drug,,DRUG_2994
2995,2995,2995,2995,2995,2995,2995,2995,DB00059,Pegaspargase,DrugBank,drug,,DRUG_2995
2996,2996,2996,2996,2996,2996,2996,2996,DB01019,Bethanechol,DrugBank,drug,CC(C[N+](C)(C)C)OC(N)=O,DRUG_2996
2997,2997,2997,2997,2997,2997,2997,2997,DB02963,"(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine",DrugBank,drug,CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1,DRUG_2997
2998,2998,2998,2998,2998,2998,2998,2998,DB06144,Sertindole,DrugBank,drug,FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2,DRUG_2998
2999,2999,2999,2999,2999,2999,2999,2999,DB11425,Luprostiol,DrugBank,drug,O[C@H](COC1=CC(Cl)=CC=C1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O,DRUG_2999
3000,3000,3000,3000,3000,3000,3000,3000,DB18785,Varoglutamstat,DrugBank,drug,CCCOC1=CC=C(C=C1)[C@H]1CNC(=O)N1C1=CC=C2NC=NC2=C1,DRUG_3000
3001,3001,3001,3001,3001,3001,3001,3001,DB12266,Epofolate,DrugBank,drug,[H][C@]1(C)CCC[C@@H]2[C@H](C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1)N2CCOC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CN=C3N=C(N)NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O,DRUG_3001
3002,3002,3002,3002,3002,3002,3002,3002,DB14064,Emopamil,DrugBank,drug,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1,DRUG_3002
3003,3003,3003,3003,3003,3003,3003,3003,DB08136,4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide,DrugBank,drug,CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1,DRUG_3003
3004,3004,3004,3004,3004,3004,3004,3004,DB04005,Uridine 5'-triphosphate,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_3004
3005,3005,3005,3005,3005,3005,3005,3005,DB00259,Sulfanilamide,DrugBank,drug,NC1=CC=C(C=C1)S(N)(=O)=O,DRUG_3005
3006,3006,3006,3006,3006,3006,3006,3006,DB15471,Zanidatamab,DrugBank,drug,,DRUG_3006
3007,3007,3007,3007,3007,3007,3007,3007,DB09304,Setiptiline,DrugBank,drug,CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21,DRUG_3007
3008,3008,3008,3008,3008,3008,3008,3008,DB06670,Odanacatib,DrugBank,drug,CC(C)(F)C[C@H](N[C@@H](C1=CC=C(C=C1)C1=CC=C(C=C1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N,DRUG_3008
3009,3009,3009,3009,3009,3009,3009,3009,DB01708,Prasterone,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,DRUG_3009
3010,3010,3010,3010,3010,3010,3010,3010,DB14844,Dordaviprone,DrugBank,drug,CC1=CC=CC=C1CN1C2=NCCN2C2=C(CN(CC3=CC=CC=C3)CC2)C1=O,DRUG_3010
3011,3011,3011,3011,3011,3011,3011,3011,DB07021,"(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine",DrugBank,drug,[H][C@]1(N)CN2C(C[C@]1([H])C1=CC(F)=C(F)C=C1F)=NC1=C2C=CN=C1,DRUG_3011
3012,3012,3012,3012,3012,3012,3012,3012,DB13108,Mephedrone,DrugBank,drug,CNC(C)C(=O)C1=CC=C(C)C=C1,DRUG_3012
3013,3013,3013,3013,3013,3013,3013,3013,DB05488,Technetium Tc-99m ciprofloxacin,DrugBank,drug,,DRUG_3013
3014,3014,3014,3014,3014,3014,3014,3014,DB05120,AT1391,DrugBank,drug,,DRUG_3014
3015,3015,3015,3015,3015,3015,3015,3015,DB13349,Talastine,DrugBank,drug,CN(C)CCN1N=C(CC2=CC=CC=C2)C2=C(C=CC=C2)C1=O,DRUG_3015
3016,3016,3016,3016,3016,3016,3016,3016,DB14232,Deacetylbisacodyl,DrugBank,drug,OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)C1=CC=CC=N1,DRUG_3016
3017,3017,3017,3017,3017,3017,3017,3017,DB12260,Radiprodil,DrugBank,drug,FC1=CC=C(CC2CCN(CC2)C(=O)C(=O)NC2=CC=C3NC(=O)OC3=C2)C=C1,DRUG_3017
3018,3018,3018,3018,3018,3018,3018,3018,DB01238,Aripiprazole,DrugBank,drug,ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl,DRUG_3018
3019,3019,3019,3019,3019,3019,3019,3019,DB04099,Deamido-Nad+,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_3019
3020,3020,3020,3020,3020,3020,3020,3020,DB06171,Paclitaxel trevatide,DrugBank,drug,,DRUG_3020
3021,3021,3021,3021,3021,3021,3021,3021,DB03512,"Uridine-2',3'-vanadate",DrugBank,drug,OC[C@@H]1O[C@H]([C@H]2O[V](O)(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O,DRUG_3021
3022,3022,3022,3022,3022,3022,3022,3022,DB07535,2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one,DrugBank,drug,NC1=NC(CCC2=CC3=C(C=CN3)C=C2)=CC(=O)N1,DRUG_3022
3023,3023,3023,3023,3023,3023,3023,3023,DB17490,NT-219,DrugBank,drug,OC1=CC(CNC(=S)\C=C\C2=C(Br)C(O)=C(O)C=C2)=CC(O)=C1O,DRUG_3023
3024,3024,3024,3024,3024,3024,3024,3024,DB00665,Nilutamide,DrugBank,drug,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,DRUG_3024
3025,3025,3025,3025,3025,3025,3025,3025,DB04556,NAP-226-90,DrugBank,drug,C[C@H](N(C)C)C1=CC(O)=CC=C1,DRUG_3025
3026,3026,3026,3026,3026,3026,3026,3026,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",DrugBank,drug,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2,DRUG_3026
3027,3027,3027,3027,3027,3027,3027,3027,DB11674,Equol,DrugBank,drug,OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2,DRUG_3027
3028,3028,3028,3028,3028,3028,3028,3028,DB07593,1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE,DrugBank,drug,[H][C@@](CCCC)(NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O,DRUG_3028
3029,3029,3029,3029,3029,3029,3029,3029,DB16657,Vecabrutinib,DrugBank,drug,NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](NC2=CC(=CC(Cl)=C2)C(F)(F)F)C1=O)C1=NC=NC(N)=C1F,DRUG_3029
3030,3030,3030,3030,3030,3030,3030,3030,DB03884,Phenylpyruvic acid,DrugBank,drug,OC(=O)C(=O)CC1=CC=CC=C1,DRUG_3030
3031,3031,3031,3031,3031,3031,3031,3031,DB04836,Amineptine,DrugBank,drug,OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_3031
3032,3032,3032,3032,3032,3032,3032,3032,DB02994,Cacodylic acid,DrugBank,drug,C[As](C)(O)=O,DRUG_3032
3033,3033,3033,3033,3033,3033,3033,3033,DB01173,Orphenadrine,DrugBank,drug,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C,DRUG_3033
3034,3034,3034,3034,3034,3034,3034,3034,DB04741,Myxothiazol,DrugBank,drug,CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O,DRUG_3034
3035,3035,3035,3035,3035,3035,3035,3035,DB04119,Hexatantalum Dodecabromide,DrugBank,drug,Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+],DRUG_3035
3036,3036,3036,3036,3036,3036,3036,3036,DB11604,"Tetanus immune globulin, human",DrugBank,drug,,DRUG_3036
3037,3037,3037,3037,3037,3037,3037,3037,DB07711,"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol",DrugBank,drug,[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12,DRUG_3037
3038,3038,3038,3038,3038,3038,3038,3038,DB00918,Almotriptan,DrugBank,drug,CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2,DRUG_3038
3039,3039,3039,3039,3039,3039,3039,3039,DB04468,Afimoxifene,DrugBank,drug,CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,DRUG_3039
3040,3040,3040,3040,3040,3040,3040,3040,DB00243,Ranolazine,DrugBank,drug,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1,DRUG_3040
3041,3041,3041,3041,3041,3041,3041,3041,DB01436,Alfacalcidol,DrugBank,drug,CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,DRUG_3041
3042,3042,3042,3042,3042,3042,3042,3042,DB07710,PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE,DrugBank,drug,[H][C@](N)(CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_3042
3043,3043,3043,3043,3043,3043,3043,3043,DB02197,"4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1,DRUG_3043
3044,3044,3044,3044,3044,3044,3044,3044,DB18847,Deuruxolitinib,DrugBank,drug,[2H]C1([2H])C([C@@H](CC#N)N2C=C(C=N2)C2=C3C=CNC3=NC=N2)C([2H])([2H])C([2H])([2H])C1([2H])[2H],DRUG_3044
3045,3045,3045,3045,3045,3045,3045,3045,DB08246,"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",DrugBank,drug,[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1,DRUG_3045
3046,3046,3046,3046,3046,3046,3046,3046,DB15447,Setogepram,DrugBank,drug,CCCCCC1=CC(CC(O)=O)=CC=C1,DRUG_3046
3047,3047,3047,3047,3047,3047,3047,3047,DB04124,Aurodox,DrugBank,drug,[H][C@@]1(O[C@@]([H])([C@H](C)[C@H](OC)C(\C)=C\C=C\CNC(=O)[C@@H](CC)[C@@]2(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O)\C=C\C=C\C=C(/C)C(=O)C1=C(O)C=CN(C)C1=O,DRUG_3047
3048,3048,3048,3048,3048,3048,3048,3048,DB15401,Danicopan,DrugBank,drug,CC(=O)C1=NN(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NC2=CC=CC(Br)=N2)C2=C1C=C(C=C2)C1=CN=C(C)N=C1,DRUG_3048
3049,3049,3049,3049,3049,3049,3049,3049,DB03382,S-oxy-L-cysteine,DrugBank,drug,[H]S(=O)C[C@H](N)C(O)=O,DRUG_3049
3050,3050,3050,3050,3050,3050,3050,3050,DB00165,Pyridoxine,DrugBank,drug,CC1=C(O)C(CO)=C(CO)C=N1,DRUG_3050
3051,3051,3051,3051,3051,3051,3051,3051,DB06824,Triethylenetetramine,DrugBank,drug,NCCNCCNCCN,DRUG_3051
3052,3052,3052,3052,3052,3052,3052,3052,DB09332,Kappadione,DrugBank,drug,[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1,DRUG_3052
3053,3053,3053,3053,3053,3053,3053,3053,DB04870,Oleoyl-estrone,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C=C3,DRUG_3053
3054,3054,3054,3054,3054,3054,3054,3054,DB05592,Blarcamesine,DrugBank,drug,CN(C)CC1CCOC1(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3054
3055,3055,3055,3055,3055,3055,3055,3055,DB07037,(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL,DrugBank,drug,[H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,DRUG_3055
3056,3056,3056,3056,3056,3056,3056,3056,DB04391,Aeruginosin 98-B,DrugBank,drug,[H]N([H])C(=NCCCCN([H])C(=O)[C@@H]1C[C@]2([H])CC[C@H](C[C@]2([H])N1C(=O)[C@H](N([H])C(=O)[C@H](O)CC1=CC=C(O)C=C1)[C@H](C)CC)OS(O)(=O)=O)N([H])[H],DRUG_3056
3057,3057,3057,3057,3057,3057,3057,3057,DB00543,Amoxapine,DrugBank,drug,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1,DRUG_3057
3058,3058,3058,3058,3058,3058,3058,3058,DB02610,"N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C(F)=C1F,DRUG_3058
3059,3059,3059,3059,3059,3059,3059,3059,DB16183,Hemoporfin,DrugBank,drug,CC(O)C1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(C)=C5C(C)O)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,DRUG_3059
3060,3060,3060,3060,3060,3060,3060,3060,DB16288,Peoniflorin,DrugBank,drug,[H][C@@]12C[C@@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]1(COC(=O)C1=CC=CC=C1)[C@@]1([H])O[C@]2(O)C[C@]3(C)O1,DRUG_3060
3061,3061,3061,3061,3061,3061,3061,3061,DB13862,Magnesium phosphate,DrugBank,drug,[Mg++].[Mg++].[Mg++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O,DRUG_3061
3062,3062,3062,3062,3062,3062,3062,3062,DB03441,2-Benzyl-3-Iodopropanoic Acid,DrugBank,drug,[H][C@@](CI)(CC1=CC=CC=C1)C(O)=O,DRUG_3062
3063,3063,3063,3063,3063,3063,3063,3063,DB01158,Bretylium,DrugBank,drug,CC[N+](C)(C)CC1=CC=CC=C1Br,DRUG_3063
3064,3064,3064,3064,3064,3064,3064,3064,DB05234,LGD2941,DrugBank,drug,C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,DRUG_3064
3065,3065,3065,3065,3065,3065,3065,3065,DB09297,Paritaprevir,DrugBank,drug,[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1,DRUG_3065
3066,3066,3066,3066,3066,3066,3066,3066,DB00528,Lercanidipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3066
3067,3067,3067,3067,3067,3067,3067,3067,DB03753,Flurbiprofen Methyl Ester,DrugBank,drug,COC(=O)[C@@H](C)C1=CC=C(C(F)=C1)C1=CC=CC=C1,DRUG_3067
3068,3068,3068,3068,3068,3068,3068,3068,DB06756,Betaine,DrugBank,drug,C[N+](C)(C)CC([O-])=O,DRUG_3068
3069,3069,3069,3069,3069,3069,3069,3069,DB08283,"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL",DrugBank,drug,[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,DRUG_3069
3070,3070,3070,3070,3070,3070,3070,3070,DB09100,"Thyroid, porcine",DrugBank,drug,,DRUG_3070
3071,3071,3071,3071,3071,3071,3071,3071,DB01632,5-O-phosphono-alpha-D-ribofuranosyl diphosphate,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,DRUG_3071
3072,3072,3072,3072,3072,3072,3072,3072,DB07071,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine",DrugBank,drug,NC(N)=NCCC1=CC=C(C=C1)B1OC[C@@H](CO)O1,DRUG_3072
3073,3073,3073,3073,3073,3073,3073,3073,DB13092,Meclocycline,DrugBank,drug,[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,DRUG_3073
3074,3074,3074,3074,3074,3074,3074,3074,DB02703,Fusidic acid,DrugBank,drug,[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C(O)=O,DRUG_3074
3075,3075,3075,3075,3075,3075,3075,3075,DB00576,Sulfamethizole,DrugBank,drug,CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1,DRUG_3075
3076,3076,3076,3076,3076,3076,3076,3076,DB06954,"2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate",DrugBank,drug,NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1,DRUG_3076
3077,3077,3077,3077,3077,3077,3077,3077,DB00977,Ethinylestradiol,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_3077
3078,3078,3078,3078,3078,3078,3078,3078,DB01575,Kaolin,DrugBank,drug,O.O.[Al+3].[Al+3].[O-][Si]([O-])([O-])O[Si]([O-])([O-])[O-],DRUG_3078
3079,3079,3079,3079,3079,3079,3079,3079,DB00658,Sevelamer,DrugBank,drug,NCC=C.ClCC1CO1,DRUG_3079
3080,3080,3080,3080,3080,3080,3080,3080,DB00878,Chlorhexidine,DrugBank,drug,ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1,DRUG_3080
3081,3081,3081,3081,3081,3081,3081,3081,DB05650,OT-551,DrugBank,drug,CC1(C)CC(CC(C)(C)N1O)OC(=O)C1CC1,DRUG_3081
3082,3082,3082,3082,3082,3082,3082,3082,DB00431,Lindane,DrugBank,drug,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,DRUG_3082
3083,3083,3083,3083,3083,3083,3083,3083,DB08011,"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime",DrugBank,drug,O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2,DRUG_3083
3084,3084,3084,3084,3084,3084,3084,3084,DB06757,Manganese cation,DrugBank,drug,[Mn++],DRUG_3084
3085,3085,3085,3085,3085,3085,3085,3085,DB09109,Turoctocog alfa,DrugBank,drug,,DRUG_3085
3086,3086,3086,3086,3086,3086,3086,3086,DB13766,Lidoflazine,DrugBank,drug,CC1=CC=CC(C)=C1NC(=O)CN1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1,DRUG_3086
3087,3087,3087,3087,3087,3087,3087,3087,DB07151,4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one,DrugBank,drug,CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1,DRUG_3087
3088,3088,3088,3088,3088,3088,3088,3088,DB02427,"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline",DrugBank,drug,COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1,DRUG_3088
3089,3089,3089,3089,3089,3089,3089,3089,DB11572,Thrombin alfa,DrugBank,drug,,DRUG_3089
3090,3090,3090,3090,3090,3090,3090,3090,DB08893,Mirabegron,DrugBank,drug,NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1,DRUG_3090
3091,3091,3091,3091,3091,3091,3091,3091,DB00846,Flurandrenolide,DrugBank,drug,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(O1)C(=O)CO,DRUG_3091
3092,3092,3092,3092,3092,3092,3092,3092,DB11606,Susoctocog alfa,DrugBank,drug,,DRUG_3092
3093,3093,3093,3093,3093,3093,3093,3093,DB12545,Indobufen,DrugBank,drug,CCC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O,DRUG_3093
3094,3094,3094,3094,3094,3094,3094,3094,DB13609,Umifenovir,DrugBank,drug,CCOC(=O)C1=C(CSC2=CC=CC=C2)N(C)C2=CC(Br)=C(O)C(CN(C)C)=C12,DRUG_3094
3095,3095,3095,3095,3095,3095,3095,3095,DB05390,INS 316,DrugBank,drug,,DRUG_3095
3096,3096,3096,3096,3096,3096,3096,3096,DB04152,"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid",DrugBank,drug,N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O,DRUG_3096
3097,3097,3097,3097,3097,3097,3097,3097,DB11113,Castor oil,DrugBank,drug,,DRUG_3097
3098,3098,3098,3098,3098,3098,3098,3098,DB07060,3-(INDOL-3-YL) LACTATE,DrugBank,drug,[H][C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O,DRUG_3098
3099,3099,3099,3099,3099,3099,3099,3099,DB02259,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide",DrugBank,drug,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O,DRUG_3099
3100,3100,3100,3100,3100,3100,3100,3100,DB04948,Lofexidine,DrugBank,drug,CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1,DRUG_3100
3101,3101,3101,3101,3101,3101,3101,3101,DB15113,Utomilumab,DrugBank,drug,,DRUG_3101
3102,3102,3102,3102,3102,3102,3102,3102,DB14730,Calaspargase pegol,DrugBank,drug,,DRUG_3102
3103,3103,3103,3103,3103,3103,3103,3103,DB07639,3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER,DrugBank,drug,CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(N)N)C1=CC=C(OC2CCNC2)C=C1,DRUG_3103
3104,3104,3104,3104,3104,3104,3104,3104,DB00393,Nimodipine,DrugBank,drug,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C,DRUG_3104
3105,3105,3105,3105,3105,3105,3105,3105,DB00381,Amlodipine,DrugBank,drug,CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC,DRUG_3105
3106,3106,3106,3106,3106,3106,3106,3106,DB00727,Nitroglycerin,DrugBank,drug,[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O,DRUG_3106
3107,3107,3107,3107,3107,3107,3107,3107,DB01666,D-Myo-Inositol-Hexasulphate,DrugBank,drug,[H][C@]1(OS(O)(=O)=O)[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@]1([H])OS(O)(=O)=O,DRUG_3107
3108,3108,3108,3108,3108,3108,3108,3108,DB14998,Olorinab,DrugBank,drug,CC(C)(C)[C@@H](CO)NC(=O)C1=NN(C2=C1C[C@@H]1C[C@H]21)C1=C[N+]([O-])=CC=N1,DRUG_3108
3109,3109,3109,3109,3109,3109,3109,3109,DB02515,sn-glycerol 3-phosphate,DrugBank,drug,OC[C@@H](O)COP(O)(O)=O,DRUG_3109
3110,3110,3110,3110,3110,3110,3110,3110,DB01592,Iron,DrugBank,drug,[Fe],DRUG_3110
3111,3111,3111,3111,3111,3111,3111,3111,DB03081,"[N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine",DrugBank,drug,COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1=CC=C(C=C1)C(N)=N)C(=O)N1CCCCC1,DRUG_3111
3112,3112,3112,3112,3112,3112,3112,3112,DB02230,Immucillin-G,DrugBank,drug,NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_3112
3113,3113,3113,3113,3113,3113,3113,3113,DB07764,Fluorescin,DrugBank,drug,OC(=O)C1=C(C=CC=C1)C1C2=CC=C(O)C=C2OC2=CC(O)=CC=C12,DRUG_3113
3114,3114,3114,3114,3114,3114,3114,3114,DB06358,Iclaprim,DrugBank,drug,COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1,DRUG_3114
3115,3115,3115,3115,3115,3115,3115,3115,DB04324,Ovalicin,DrugBank,drug,[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O,DRUG_3115
3116,3116,3116,3116,3116,3116,3116,3116,DB11236,Polyethylene glycol 3500,DrugBank,drug,,DRUG_3116
3117,3117,3117,3117,3117,3117,3117,3117,DB02089,CP-526423,DrugBank,drug,ClC1=CC2=C(NC(=C2)C(=O)NCCOCCOCCNC(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C=C1,DRUG_3117
3118,3118,3118,3118,3118,3118,3118,3118,DB05906,CCR5 mAb,DrugBank,drug,,DRUG_3118
3119,3119,3119,3119,3119,3119,3119,3119,DB12698,Ibalizumab,DrugBank,drug,,DRUG_3119
3120,3120,3120,3120,3120,3120,3120,3120,DB14655,Drostanolone propionate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,DRUG_3120
3121,3121,3121,3121,3121,3121,3121,3121,DB07206,6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE,DrugBank,drug,NC1=NC(CCC2=CC=C3C=CNC3=C2)=CC=C1,DRUG_3121
3122,3122,3122,3122,3122,3122,3122,3122,DB00756,Hexachlorophene,DrugBank,drug,OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl,DRUG_3122
3123,3123,3123,3123,3123,3123,3123,3123,DB08156,3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID,DrugBank,drug,NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1,DRUG_3123
3124,3124,3124,3124,3124,3124,3124,3124,DB01099,Flucytosine,DrugBank,drug,NC1=NC(=O)NC=C1F,DRUG_3124
3125,3125,3125,3125,3125,3125,3125,3125,DB14738,Turoctocog alfa pegol,DrugBank,drug,,DRUG_3125
3126,3126,3126,3126,3126,3126,3126,3126,DB07316,"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",DrugBank,drug,C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F,DRUG_3126
3127,3127,3127,3127,3127,3127,3127,3127,DB11626,Tasonermin,DrugBank,drug,,DRUG_3127
3128,3128,3128,3128,3128,3128,3128,3128,DB13429,Tolonidine,DrugBank,drug,CC1=CC=C(NC2=NCCN2)C(Cl)=C1,DRUG_3128
3129,3129,3129,3129,3129,3129,3129,3129,DB09287,Polyethylene glycol,DrugBank,drug,,DRUG_3129
3130,3130,3130,3130,3130,3130,3130,3130,DB06204,Tapentadol,DrugBank,drug,CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1,DRUG_3130
3131,3131,3131,3131,3131,3131,3131,3131,DB06981,(2S)-2-(1H-indol-3-yl)pentanoic acid,DrugBank,drug,[H][C@@](CCC)(C(O)=O)C1=CNC2=CC=CC=C12,DRUG_3131
3132,3132,3132,3132,3132,3132,3132,3132,DB06957,"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",DrugBank,drug,CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,DRUG_3132
3133,3133,3133,3133,3133,3133,3133,3133,DB01341,Dihydroquinidine barbiturate,DrugBank,drug,,DRUG_3133
3134,3134,3134,3134,3134,3134,3134,3134,DB00156,Threonine,DrugBank,drug,C[C@@H](O)[C@H](N)C(O)=O,DRUG_3134
3135,3135,3135,3135,3135,3135,3135,3135,DB13510,Buflomedil,DrugBank,drug,COC1=CC(OC)=C(C(=O)CCCN2CCCC2)C(OC)=C1,DRUG_3135
3136,3136,3136,3136,3136,3136,3136,3136,DB13967,Patent Blue,DrugBank,drug,CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C(O)=C1)S(O)(=O)=O)S(O)(=O)=O,DRUG_3136
3137,3137,3137,3137,3137,3137,3137,3137,DB13849,Clofibride,DrugBank,drug,CN(C)C(=O)CCCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,DRUG_3137
3138,3138,3138,3138,3138,3138,3138,3138,DB14708,Tosylchloramide,DrugBank,drug,CC1=CC=C(C=C1)S(=O)(=O)NCl,DRUG_3138
3139,3139,3139,3139,3139,3139,3139,3139,DB03049,S-Selanyl Cysteine,DrugBank,drug,N[C@@H](CS[SeH])C(O)=O,DRUG_3139
3140,3140,3140,3140,3140,3140,3140,3140,DB18464,Esuberaprost,DrugBank,drug,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C1=CC=CC(CCCC(O)=O)=C1O2,DRUG_3140
3141,3141,3141,3141,3141,3141,3141,3141,DB08198,"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE",DrugBank,drug,[H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1,DRUG_3141
3142,3142,3142,3142,3142,3142,3142,3142,DB06495,Onercept,DrugBank,drug,,DRUG_3142
3143,3143,3143,3143,3143,3143,3143,3143,DB00411,Carbamoylcholine,DrugBank,drug,C[N+](C)(C)CCOC(N)=O,DRUG_3143
3144,3144,3144,3144,3144,3144,3144,3144,DB02132,Zenarestat,DrugBank,drug,OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2,DRUG_3144
3145,3145,3145,3145,3145,3145,3145,3145,DB00129,Ornithine,DrugBank,drug,NCCC[C@H](N)C(O)=O,DRUG_3145
3146,3146,3146,3146,3146,3146,3146,3146,DB15657,Ala-geninthiocin,DrugBank,drug,,DRUG_3146
3147,3147,3147,3147,3147,3147,3147,3147,DB01860,Cordycepin Triphosphate,DrugBank,drug,[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12,DRUG_3147
3148,3148,3148,3148,3148,3148,3148,3148,DB04700,GLUTATHIONE SULFINATE,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O,DRUG_3148
3149,3149,3149,3149,3149,3149,3149,3149,DB04392,"Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]",DrugBank,drug,[H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O,DRUG_3149
3150,3150,3150,3150,3150,3150,3150,3150,DB06196,Icatibant,DrugBank,drug,,DRUG_3150
3151,3151,3151,3151,3151,3151,3151,3151,DB00897,Triazolam,DrugBank,drug,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,DRUG_3151
3152,3152,3152,3152,3152,3152,3152,3152,DB07150,4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME,DrugBank,drug,O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1,DRUG_3152
3153,3153,3153,3153,3153,3153,3153,3153,DB12414,Usistapide,DrugBank,drug,COC(=O)[C@H](N1CCC(CC1)C1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C=C1)C1=CC=CC=C1,DRUG_3153
3154,3154,3154,3154,3154,3154,3154,3154,DB04585,DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID,DrugBank,drug,N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O,DRUG_3154
3155,3155,3155,3155,3155,3155,3155,3155,DB00974,Edetic acid,DrugBank,drug,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O,DRUG_3155
3156,3156,3156,3156,3156,3156,3156,3156,DB10804,Bacillus calmette-guerin substrain connaught live antigen,DrugBank,drug,,DRUG_3156
3157,3157,3157,3157,3157,3157,3157,3157,DB11251,Tocopherol,DrugBank,drug,,DRUG_3157
3158,3158,3158,3158,3158,3158,3158,3158,DB11752,Bryostatin 1,DrugBank,drug,[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2,DRUG_3158
3159,3159,3159,3159,3159,3159,3159,3159,DB00002,Cetuximab,DrugBank,drug,,DRUG_3159
3160,3160,3160,3160,3160,3160,3160,3160,DB03152,B-2-Octylglucoside,DrugBank,drug,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OCCCCCCCC,DRUG_3160
3161,3161,3161,3161,3161,3161,3161,3161,DB04642,"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID",DrugBank,drug,OC(=O)CCCCCCOC1=C(Cl)C=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1Cl,DRUG_3161
3162,3162,3162,3162,3162,3162,3162,3162,DB06605,Apixaban,DrugBank,drug,COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O,DRUG_3162
3163,3163,3163,3163,3163,3163,3163,3163,DB12007,Isoflavone,DrugBank,drug,O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1,DRUG_3163
3164,3164,3164,3164,3164,3164,3164,3164,DB01873,Epothilone D,DrugBank,drug,[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1,DRUG_3164
3165,3165,3165,3165,3165,3165,3165,3165,DB09342,Propoxycaine,DrugBank,drug,CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC,DRUG_3165
3166,3166,3166,3166,3166,3166,3166,3166,DB00433,Prochlorperazine,DrugBank,drug,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,DRUG_3166
3167,3167,3167,3167,3167,3167,3167,3167,DB12108,Taselisib,DrugBank,drug,CC(C)N1N=C(C)N=C1C1=CN2CCOC3=CC(=CC=C3C2=N1)C1=CN(N=C1)C(C)(C)C(N)=O,DRUG_3167
3168,3168,3168,3168,3168,3168,3168,3168,DB13502,Budipine,DrugBank,drug,CC(C)(C)N1CCC(CC1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3168
3169,3169,3169,3169,3169,3169,3169,3169,DB01071,Mequitazine,DrugBank,drug,C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_3169
3170,3170,3170,3170,3170,3170,3170,3170,DB18840,Allitinib,DrugBank,drug,FC1=CC=CC(COC2=CC=C(NC3=NC=NC4=CC=C(NC(=O)C=C)C=C34)C=C2Cl)=C1,DRUG_3170
3171,3171,3171,3171,3171,3171,3171,3171,DB09054,Idelalisib,DrugBank,drug,[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1,DRUG_3171
3172,3172,3172,3172,3172,3172,3172,3172,DB01365,Mephentermine,DrugBank,drug,CNC(C)(C)CC1=CC=CC=C1,DRUG_3172
3173,3173,3173,3173,3173,3173,3173,3173,DB16823,Vebreltinib,DrugBank,drug,CN1C=C2C=C(C(F)=CC2=N1)C(F)(F)C1=NN=C2C=CC(=NN12)C1=CN(N=C1)C1CC1,DRUG_3173
3174,3174,3174,3174,3174,3174,3174,3174,DB01001,Albuterol,DrugBank,drug,CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1,DRUG_3174
3175,3175,3175,3175,3175,3175,3175,3175,DB08750,"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE",DrugBank,drug,NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2,DRUG_3175
3176,3176,3176,3176,3176,3176,3176,3176,DB02877,Arotinoid acid,DrugBank,drug,C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C,DRUG_3176
3177,3177,3177,3177,3177,3177,3177,3177,DB13981,Nomegestrol acetate,DrugBank,drug,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C(C)=C[C@@]21[H],DRUG_3177
3178,3178,3178,3178,3178,3178,3178,3178,DB12609,Tovetumab,DrugBank,drug,,DRUG_3178
3179,3179,3179,3179,3179,3179,3179,3179,DB15416,PX-102,DrugBank,drug,OC(=O)C1=CC=C(C=C1)[C@H]1C[C@@H]1C1=C(Cl)C=C(OCC2=C(ON=C2C2=C(Cl)C=CC=C2Cl)C2CC2)C=C1,DRUG_3179
3180,3180,3180,3180,3180,3180,3180,3180,DB02837,4-(Hydrogen sulfate)-beta-D-galactopyranose,DrugBank,drug,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OS(O)(=O)=O,DRUG_3180
3181,3181,3181,3181,3181,3181,3181,3181,DB12753,Racivir,DrugBank,drug,OCC1OC(CS1)N1C=C(F)C(=N)N=C1O,DRUG_3181
3182,3182,3182,3182,3182,3182,3182,3182,DB15965,Naxitamab,DrugBank,drug,,DRUG_3182
3183,3183,3183,3183,3183,3183,3183,3183,DB04363,Mesobiliverdin IV alpha,DrugBank,drug,[H]N1C(=O)C(C)=C(CC)\C1=C\C1=N\C(=C/C2=C(C)C(CCC(O)=O)=C(\C=C3/N([H])C(=O)C(C)=C3CC)N2[H])\C(C)=C1CCC(O)=O,DRUG_3183
3184,3184,3184,3184,3184,3184,3184,3184,DB00507,Nitazoxanide,DrugBank,drug,CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O,DRUG_3184
3185,3185,3185,3185,3185,3185,3185,3185,DB05565,PBT-1033,DrugBank,drug,CN(C)CC1=CC=C2C(Cl)=CC(Cl)=C(O)C2=N1,DRUG_3185
3186,3186,3186,3186,3186,3186,3186,3186,DB06535,Etilevodopa,DrugBank,drug,CCOC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1,DRUG_3186
3187,3187,3187,3187,3187,3187,3187,3187,DB05553,Regrelor,DrugBank,drug,[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)N1C=NC2=C1N=CN=C2NC(=O)NCC)\C=C\C1=CC=CC=C1,DRUG_3187
3188,3188,3188,3188,3188,3188,3188,3188,DB08377,N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine,DrugBank,drug,C[C@@H](NC(=O)CCCP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,DRUG_3188
3189,3189,3189,3189,3189,3189,3189,3189,DB06728,Aniline,DrugBank,drug,NC1=CC=CC=C1,DRUG_3189
3190,3190,3190,3190,3190,3190,3190,3190,DB03148,Adenosine 5'-methylenediphosphate,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_3190
3191,3191,3191,3191,3191,3191,3191,3191,DB13452,Cadralazine,DrugBank,drug,CCOC(=O)NNC1=NN=C(C=C1)N(CC)CC(C)O,DRUG_3191
3192,3192,3192,3192,3192,3192,3192,3192,DB04972,Canfosfamide,DrugBank,drug,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)C1=CC=CC=C1)C(O)=O,DRUG_3192
3193,3193,3193,3193,3193,3193,3193,3193,DB15686,GS-441524,DrugBank,drug,NC1=NC=NN2C1=CC=C2[C@@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C#N,DRUG_3193
3194,3194,3194,3194,3194,3194,3194,3194,DB03192,(R)-3-hydroxydecanoyl-CoA,DrugBank,drug,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]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_3194
3195,3195,3195,3195,3195,3195,3195,3195,DB04464,N-Formylmethionine,DrugBank,drug,[H]C(=O)N[C@@H](CCSC)C(O)=O,DRUG_3195
3196,3196,3196,3196,3196,3196,3196,3196,DB00624,Testosterone,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,DRUG_3196
3197,3197,3197,3197,3197,3197,3197,3197,DB16834,AZD-7648,DrugBank,drug,CN1C(=O)N(C2CCOCC2)C2=NC(NC3=CN4N=CN=C4C=C3C)=NC=C12,DRUG_3197
3198,3198,3198,3198,3198,3198,3198,3198,DB15186,Paxalisib,DrugBank,drug,CC1(C)OCCN2C1=NC1=C(N=C(N=C21)C1=CN=C(N)N=C1)N1CCOCC1,DRUG_3198
3199,3199,3199,3199,3199,3199,3199,3199,DB00730,Thiabendazole,DrugBank,drug,N1C2=CC=CC=C2N=C1C1=CSC=N1,DRUG_3199
3200,3200,3200,3200,3200,3200,3200,3200,DB13886,Human cytomegalovirus immune globulin,DrugBank,drug,,DRUG_3200
3201,3201,3201,3201,3201,3201,3201,3201,DB05212,HE3286,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,DRUG_3201
3202,3202,3202,3202,3202,3202,3202,3202,DB11134,Cupric oxide,DrugBank,drug,[O--].[Cu++],DRUG_3202
3203,3203,3203,3203,3203,3203,3203,3203,DB02315,Cyclic GMP,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,DRUG_3203
3204,3204,3204,3204,3204,3204,3204,3204,DB03024,2-Methyl-3-(2-Aminothiazolo)Propanal,DrugBank,drug,[H][C@](C)(CC1=CSC(N)=N1)C=O,DRUG_3204
3205,3205,3205,3205,3205,3205,3205,3205,DB08003,ISOTHIAZOLIDINONE ANALOG,DrugBank,drug,[H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,DRUG_3205
3206,3206,3206,3206,3206,3206,3206,3206,DB12218,Capivasertib,DrugBank,drug,NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1,DRUG_3206
3207,3207,3207,3207,3207,3207,3207,3207,DB14637,Fluprednisolone acetate,DrugBank,drug,CC(=O)OCC(=O)[C@@]1(O)CC[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@]12C,DRUG_3207
3208,3208,3208,3208,3208,3208,3208,3208,DB07873,Lauryl alcohol diphosphonic acid,DrugBank,drug,CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_3208
3209,3209,3209,3209,3209,3209,3209,3209,DB07366,2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER,DrugBank,drug,[H][C@]1(CCCN1C(=O)OCC1=CC=CC=C1)C(=O)NNCCCCN,DRUG_3209
3210,3210,3210,3210,3210,3210,3210,3210,DB00024,Thyrotropin alfa,DrugBank,drug,,DRUG_3210
3211,3211,3211,3211,3211,3211,3211,3211,DB08641,"(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",DrugBank,drug,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,DRUG_3211
3212,3212,3212,3212,3212,3212,3212,3212,DB00947,Fulvestrant,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H],DRUG_3212
3213,3213,3213,3213,3213,3213,3213,3213,DB06802,Nepafenac,DrugBank,drug,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N,DRUG_3213
3214,3214,3214,3214,3214,3214,3214,3214,DB01375,Aluminium monostearate,DrugBank,drug,CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O,DRUG_3214
3215,3215,3215,3215,3215,3215,3215,3215,DB02984,"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline",DrugBank,drug,COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC,DRUG_3215
3216,3216,3216,3216,3216,3216,3216,3216,DB17047,PIK-75,DrugBank,drug,CN(\N=C\C1=CN=C2C=CC(Br)=CN12)S(=O)(=O)C1=CC(=CC=C1C)[N+]([O-])=O,DRUG_3216
3217,3217,3217,3217,3217,3217,3217,3217,DB01058,Praziquantel,DrugBank,drug,O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1,DRUG_3217
3218,3218,3218,3218,3218,3218,3218,3218,DB07769,S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,DrugBank,drug,C[C@](O)(COC1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,DRUG_3218
3219,3219,3219,3219,3219,3219,3219,3219,DB15366,SOR-C13,DrugBank,drug,,DRUG_3219
3220,3220,3220,3220,3220,3220,3220,3220,DB15256,Reldesemtiv,DrugBank,drug,NC(=O)C1=CN(C=C1)C1=CN=C(NC[C@@]2(C[C@H](F)C2)C2=NC=CC=C2F)N=C1,DRUG_3220
3221,3221,3221,3221,3221,3221,3221,3221,DB07468,"(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DrugBank,drug,CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,DRUG_3221
3222,3222,3222,3222,3222,3222,3222,3222,DB01131,Proguanil,DrugBank,drug,CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1,DRUG_3222
3223,3223,3223,3223,3223,3223,3223,3223,DB01091,Butenafine,DrugBank,drug,CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12,DRUG_3223
3224,3224,3224,3224,3224,3224,3224,3224,DB09277,Choline C 11,DrugBank,drug,[Cl-].C[N+](C)([11CH3])CCO,DRUG_3224
3225,3225,3225,3225,3225,3225,3225,3225,DB09536,Titanium dioxide,DrugBank,drug,O=[Ti]=O,DRUG_3225
3226,3226,3226,3226,3226,3226,3226,3226,DB09126,Chorionic Gonadotropin (Human),DrugBank,drug,,DRUG_3226
3227,3227,3227,3227,3227,3227,3227,3227,DB16895,GSK-2879552,DrugBank,drug,OC(=O)C1=CC=C(CN2CCC(CN[C@@H]3C[C@H]3C3=CC=CC=C3)CC2)C=C1,DRUG_3227
3228,3228,3228,3228,3228,3228,3228,3228,DB01711,"2,3,4,5,6-Pentafluorobenzyl Alcohol",DrugBank,drug,OCC1=C(F)C(F)=C(F)C(F)=C1F,DRUG_3228
3229,3229,3229,3229,3229,3229,3229,3229,DB06796,Mangafodipir,DrugBank,drug,[Mn++].CC1=C(O)C(CN(CCN(CC([O-])=O)CC2=CC(COP(O)(O)=O)=NC(C)=C2O)CC([O-])=O)=CC(COP(O)(O)=O)=N1,DRUG_3229
3230,3230,3230,3230,3230,3230,3230,3230,DB14776,Camrelizumab,DrugBank,drug,,DRUG_3230
3231,3231,3231,3231,3231,3231,3231,3231,DB06751,Drotaverine,DrugBank,drug,CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1,DRUG_3231
3232,3232,3232,3232,3232,3232,3232,3232,DB09501,Ferric ammonium citrate,DrugBank,drug,N.[Fe+3].OC(=O)CC(O)(CC(O)=O)C(O)=O,DRUG_3232
3233,3233,3233,3233,3233,3233,3233,3233,DB12720,Nivocasan,DrugBank,drug,CC(C)[C@]1(CC(=NO1)C1=NC=CC2=CC=CC=C12)C(=O)N[C@H]1CC(=O)O[C@]1(O)CF,DRUG_3233
3234,3234,3234,3234,3234,3234,3234,3234,DB04445,Mercuric iodide,DrugBank,drug,I[Hg]I,DRUG_3234
3235,3235,3235,3235,3235,3235,3235,3235,DB00818,Propofol,DrugBank,drug,CC(C)C1=CC=CC(C(C)C)=C1O,DRUG_3235
3236,3236,3236,3236,3236,3236,3236,3236,DB06515,Resiniferatoxin,DrugBank,drug,[H][C@]12O[C@]3(CC4=CC=CC=C4)O[C@]1(C[C@@]([H])(C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)CC3=CC(OC)=C(O)C=C3)=C[C@@]21[H])C(C)=C,DRUG_3236
3237,3237,3237,3237,3237,3237,3237,3237,DB11913,LY-2090314,DrugBank,drug,FC1=CC2=C3N(CCN(C2)C(=O)N2CCCCC2)C=C(C3=C1)C1=C(C(=O)NC1=O)C1=CN=C2C=CC=CN12,DRUG_3237
3238,3238,3238,3238,3238,3238,3238,3238,DB11975,TAK-448,DrugBank,drug,,DRUG_3238
3239,3239,3239,3239,3239,3239,3239,3239,DB13320,Sulfaperin,DrugBank,drug,CC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1,DRUG_3239
3240,3240,3240,3240,3240,3240,3240,3240,DB00342,Terfenadine,DrugBank,drug,CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3240
3241,3241,3241,3241,3241,3241,3241,3241,DB12491,Fasiglifam,DrugBank,drug,CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC=CC(COC2=CC=C3[C@H](CC(O)=O)COC3=C2)=C1,DRUG_3241
3242,3242,3242,3242,3242,3242,3242,3242,DB06090,Bradanicline,DrugBank,drug,[H][C@@]1(CC2=CC=CN=C2)N2CCC(CC2)[C@@]1([H])NC(=O)C1=CC2=C(O1)C=CC=C2,DRUG_3242
3243,3243,3243,3243,3243,3243,3243,3243,DB08566,D-1-naphthyl-2-acetamido-ethane boronic acid,DrugBank,drug,[H]N(C(C)=O)[C@]([H])(CC1=C2C=CC=CC2=CC=C1)[B-](O)(O)O,DRUG_3243
3244,3244,3244,3244,3244,3244,3244,3244,DB13460,Ronifibrate,DrugBank,drug,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCCOC(=O)C1=CN=CC=C1,DRUG_3244
3245,3245,3245,3245,3245,3245,3245,3245,DB09123,Dienogest,DrugBank,drug,[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_3245
3246,3246,3246,3246,3246,3246,3246,3246,DB04450,Heptyl 1-Thiohexopyranoside,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(SCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_3246
3247,3247,3247,3247,3247,3247,3247,3247,DB03084,"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",DrugBank,drug,CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1,DRUG_3247
3248,3248,3248,3248,3248,3248,3248,3248,DB12059,JNJ-40411813,DrugBank,drug,CCCCN1C=CC(N2CCC(CC2)C2=CC=CC=C2)=C(Cl)C1=O,DRUG_3248
3249,3249,3249,3249,3249,3249,3249,3249,DB11865,Brivanib alaninate,DrugBank,drug,C[C@H](COC1=CN2N=CN=C(OC3=CC=C4NC(C)=CC4=C3F)C2=C1C)OC(=O)[C@H](C)N,DRUG_3249
3250,3250,3250,3250,3250,3250,3250,3250,DB11442,Oleandomycin,DrugBank,drug,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]([C@H]3O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,DRUG_3250
3251,3251,3251,3251,3251,3251,3251,3251,DB02045,Amylamine,DrugBank,drug,CCCCCN,DRUG_3251
3252,3252,3252,3252,3252,3252,3252,3252,DB04893,AZD3409,DrugBank,drug,,DRUG_3252
3253,3253,3253,3253,3253,3253,3253,3253,DB09108,Simoctocog alfa,DrugBank,drug,,DRUG_3253
3254,3254,3254,3254,3254,3254,3254,3254,DB04816,Dantron,DrugBank,drug,OC1=CC=CC2=C1C(=O)C1=C(C=CC=C1O)C2=O,DRUG_3254
3255,3255,3255,3255,3255,3255,3255,3255,DB07812,"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide",DrugBank,drug,[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1,DRUG_3255
3256,3256,3256,3256,3256,3256,3256,3256,DB08067,4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM,DrugBank,drug,O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1,DRUG_3256
3257,3257,3257,3257,3257,3257,3257,3257,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",DrugBank,drug,[H][C@@](N)(C(=O)N1[C@@]2([H])C[C@@]2([H])C[C@@]1([H])C#N)[C@]12C[C@@]3([H])C[C@]([H])(C[C@](O)(C3)C1)C2,DRUG_3257
3258,3258,3258,3258,3258,3258,3258,3258,DB13851,Artemotil,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OCC)[C@@H]2C)O4,DRUG_3258
3259,3259,3259,3259,3259,3259,3259,3259,DB10769,Japanese encephalitis virus strain sa 14-14-2 antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_3259
3260,3260,3260,3260,3260,3260,3260,3260,DB05511,Piclidenoson,DrugBank,drug,CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC(I)=CC=C3)N=CN=C12,DRUG_3260
3261,3261,3261,3261,3261,3261,3261,3261,DB07245,6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE,DrugBank,drug,COC1=CC=CC(=C1)C1=CC(CCC2=CC=CC(N)=N2)=CC=C1,DRUG_3261
3262,3262,3262,3262,3262,3262,3262,3262,DB06203,Alogliptin,DrugBank,drug,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O,DRUG_3262
3263,3263,3263,3263,3263,3263,3263,3263,DB03191,3-Oxiran-2ylalanine,DrugBank,drug,[H][C@](N)(C[C@@]1([H])CO1)C(O)=O,DRUG_3263
3264,3264,3264,3264,3264,3264,3264,3264,DB02811,Diethyl phosphonate,DrugBank,drug,[H]P(=O)(OCC)OCC,DRUG_3264
3265,3265,3265,3265,3265,3265,3265,3265,DB16071,4'-Thio-fac,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1S[C@H](CO)[C@@H](O)[C@@H]1F,DRUG_3265
3266,3266,3266,3266,3266,3266,3266,3266,DB07254,"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE",DrugBank,drug,CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,DRUG_3266
3267,3267,3267,3267,3267,3267,3267,3267,DB00288,Amcinonide,DrugBank,drug,[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_3267
3268,3268,3268,3268,3268,3268,3268,3268,DB01818,O3-Sulfonylgalactose,DrugBank,drug,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])O,DRUG_3268
3269,3269,3269,3269,3269,3269,3269,3269,DB08577,3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE,DrugBank,drug,CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O,DRUG_3269
3270,3270,3270,3270,3270,3270,3270,3270,DB03006,Arsanilic acid,DrugBank,drug,NC1=CC=C(C=C1)[As](O)(O)=O,DRUG_3270
3271,3271,3271,3271,3271,3271,3271,3271,DB12637,Onapristone,DrugBank,drug,CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12,DRUG_3271
3272,3272,3272,3272,3272,3272,3272,3272,DB02714,3'-Uridinemonophosphate,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_3272
3273,3273,3273,3273,3273,3273,3273,3273,DB16040,DU125530,DrugBank,drug,ClC1=CC(N2CCN(CCCCN3C(=O)C4=C(C=CC=C4)S3(=O)=O)CC2)=C2OCCOC2=C1,DRUG_3273
3274,3274,3274,3274,3274,3274,3274,3274,DB02878,3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid,DrugBank,drug,[H][C@](CN)(CCC(O)=O)[C@]([H])(CCN)CC(O)=O,DRUG_3274
3275,3275,3275,3275,3275,3275,3275,3275,DB07437,5-Benzylacyclouridine,DrugBank,drug,OCCOCN1C=C(CC2=CC=CC=C2)C(=O)NC1=O,DRUG_3275
3276,3276,3276,3276,3276,3276,3276,3276,DB06840,"diethyl [(1R)-1,5-diaminopentyl]boronate",DrugBank,drug,[H][C@](N)(CCCCN)B(OCC)OCC,DRUG_3276
3277,3277,3277,3277,3277,3277,3277,3277,DB11647,Incyclinide,DrugBank,drug,[H][C@@]12CC3=C(C(O)=CC=C3)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C[C@]1([H])C2,DRUG_3277
3278,3278,3278,3278,3278,3278,3278,3278,DB02838,"3,4-Dihydro-2h-Pyrrolium-5-Carboxylate",DrugBank,drug,[O-]C(=O)C1=[NH+]CCC1,DRUG_3278
3279,3279,3279,3279,3279,3279,3279,3279,DB08378,"4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID",DrugBank,drug,[H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O,DRUG_3279
3280,3280,3280,3280,3280,3280,3280,3280,DB15206,Uprifosbuvir,DrugBank,drug,CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(Cl)[C@@H]1O)OC1=CC=CC=C1,DRUG_3280
3281,3281,3281,3281,3281,3281,3281,3281,DB08510,5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O)C(C)=O,DRUG_3281
3282,3282,3282,3282,3282,3282,3282,3282,DB08933,Luliconazole,DrugBank,drug,ClC1=CC(Cl)=C(C=C1)[C@@H]1CS\C(S1)=C(\C#N)N1C=CN=C1,DRUG_3282
3283,3283,3283,3283,3283,3283,3283,3283,DB13083,Talarozole,DrugBank,drug,CCC(CC)C(N1C=NC=N1)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1,DRUG_3283
3284,3284,3284,3284,3284,3284,3284,3284,DB12167,LY-3023414,DrugBank,drug,CO[C@@H](C)CN1C(=O)N(C)C2=C1C1=CC(=CC=C1N=C2)C1=CC(=CN=C1)C(C)(C)O,DRUG_3284
3285,3285,3285,3285,3285,3285,3285,3285,DB13400,Linsidomine,DrugBank,drug,[NH-]C1=C[N+](=NO1)N1CCOCC1,DRUG_3285
3286,3286,3286,3286,3286,3286,3286,3286,DB00759,Tetracycline,DrugBank,drug,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,DRUG_3286
3287,3287,3287,3287,3287,3287,3287,3287,DB14962,Trastuzumab deruxtecan,DrugBank,drug,,DRUG_3287
3288,3288,3288,3288,3288,3288,3288,3288,DB01959,"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DrugBank,drug,CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,DRUG_3288
3289,3289,3289,3289,3289,3289,3289,3289,DB07707,"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL",DrugBank,drug,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C,DRUG_3289
3290,3290,3290,3290,3290,3290,3290,3290,DB13662,Hexapropymate,DrugBank,drug,NC(=O)OC1(CC#C)CCCCC1,DRUG_3290
3291,3291,3291,3291,3291,3291,3291,3291,DB03373,ZK-806711,DrugBank,drug,[H]N=C(C)N1CCC(CC1)OC1=CC2=C(C=C1)N=C(C)N2CC1=CC2=C(C=C1)C=CC(=C2)C(N)=[NH2+],DRUG_3291
3292,3292,3292,3292,3292,3292,3292,3292,DB12143,Rezatomidine,DrugBank,drug,C[C@H](C1=CNC(=S)N1)C1=C(C)C(C)=CC=C1,DRUG_3292
3293,3293,3293,3293,3293,3293,3293,3293,DB13240,Cymarin,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@H](CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1)C1=CC(=O)OC1,DRUG_3293
3294,3294,3294,3294,3294,3294,3294,3294,DB13128,Sizofiran,DrugBank,drug,,DRUG_3294
3295,3295,3295,3295,3295,3295,3295,3295,DB12746,AKN-028,DrugBank,drug,NC1=C(NC2=CC=C3NC=CC3=C2)N=C(C=N1)C1=CC=NC=C1,DRUG_3295
3296,3296,3296,3296,3296,3296,3296,3296,DB04714,ISOPENTENYL PYROPHOSPHATE,DrugBank,drug,CC(=C)CCO[P@](O)(=O)OP(O)(O)=O,DRUG_3296
3297,3297,3297,3297,3297,3297,3297,3297,DB01120,Gliclazide,DrugBank,drug,[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,DRUG_3297
3298,3298,3298,3298,3298,3298,3298,3298,DB13956,Estradiol valerate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_3298
3299,3299,3299,3299,3299,3299,3299,3299,DB00262,Carmustine,DrugBank,drug,ClCCNC(=O)N(CCCl)N=O,DRUG_3299
3300,3300,3300,3300,3300,3300,3300,3300,DB07697,"1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine",DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,DRUG_3300
3301,3301,3301,3301,3301,3301,3301,3301,DB00870,Suprofen,DrugBank,drug,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1,DRUG_3301
3302,3302,3302,3302,3302,3302,3302,3302,DB07259,1-(4-thiophen-2-ylphenyl)methanamine,DrugBank,drug,NCC1=CC=C(C=C1)C1=CC=CS1,DRUG_3302
3303,3303,3303,3303,3303,3303,3303,3303,DB03935,"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid",DrugBank,drug,[H][C@]1(O)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,DRUG_3303
3304,3304,3304,3304,3304,3304,3304,3304,DB09033,Vedolizumab,DrugBank,drug,,DRUG_3304
3305,3305,3305,3305,3305,3305,3305,3305,DB09479,Rubidium Rb-82,DrugBank,drug,[82Rb+],DRUG_3305
3306,3306,3306,3306,3306,3306,3306,3306,DB00224,Indinavir,DrugBank,drug,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,DRUG_3306
3307,3307,3307,3307,3307,3307,3307,3307,DB16126,Cinaciguat,DrugBank,drug,OC(=O)CCCCN(CCC1=C(OCC2=CC=C(CCC3=CC=CC=C3)C=C2)C=CC=C1)CC1=CC=C(C=C1)C(O)=O,DRUG_3307
3308,3308,3308,3308,3308,3308,3308,3308,DB03663,"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol",DrugBank,drug,CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2,DRUG_3308
3309,3309,3309,3309,3309,3309,3309,3309,DB12845,Amatuximab,DrugBank,drug,,DRUG_3309
3310,3310,3310,3310,3310,3310,3310,3310,DB12449,Tempol,DrugBank,drug,CC1(C)CC(O)CC(C)(C)N1[O],DRUG_3310
3311,3311,3311,3311,3311,3311,3311,3311,DB13409,Rokitamycin,DrugBank,drug,CCCC(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,DRUG_3311
3312,3312,3312,3312,3312,3312,3312,3312,DB03822,Ethyl dihydrogen phosphate,DrugBank,drug,CCOP(O)(O)=O,DRUG_3312
3313,3313,3313,3313,3313,3313,3313,3313,DB01919,Pentanal,DrugBank,drug,CCCCC=O,DRUG_3313
3314,3314,3314,3314,3314,3314,3314,3314,DB08868,Fingolimod,DrugBank,drug,CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1,DRUG_3314
3315,3315,3315,3315,3315,3315,3315,3315,DB07934,[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE,DrugBank,drug,[H][C@](CCNC1=CC=[NH+]C=C1)(NC(=O)CNS(=O)(=O)C1CCCCC1)C(=O)N1CCCCC1,DRUG_3315
3316,3316,3316,3316,3316,3316,3316,3316,DB13213,Butaperazine,DrugBank,drug,CCCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,DRUG_3316
3317,3317,3317,3317,3317,3317,3317,3317,DB02753,Selenoinosine,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2N=CN=C3[SeH])[C@]([H])(O)[C@]1([H])O,DRUG_3317
3318,3318,3318,3318,3318,3318,3318,3318,DB00773,Etoposide,DrugBank,drug,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O,DRUG_3318
3319,3319,3319,3319,3319,3319,3319,3319,DB01110,Miconazole,DrugBank,drug,ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_3319
3320,3320,3320,3320,3320,3320,3320,3320,DB15935,Lumasiran,DrugBank,drug,,DRUG_3320
3321,3321,3321,3321,3321,3321,3321,3321,DB03788,GC-24,DrugBank,drug,CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1,DRUG_3321
3322,3322,3322,3322,3322,3322,3322,3322,DB01564,Calusterone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C,DRUG_3322
3323,3323,3323,3323,3323,3323,3323,3323,DB11408,Famphur,DrugBank,drug,COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C,DRUG_3323
3324,3324,3324,3324,3324,3324,3324,3324,DB13046,Tocladesine,DrugBank,drug,NC1=C2N=C(Cl)N([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,DRUG_3324
3325,3325,3325,3325,3325,3325,3325,3325,DB07580,"BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE",DrugBank,drug,[H][C@@]1(CO[C@](C)(OC1)C(O)=O)OC(=O)N1CCN(CC1)C(=O)O[C@@]1([H])CO[C@](C)(OC1)C(O)=O,DRUG_3325
3326,3326,3326,3326,3326,3326,3326,3326,DB08781,"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE",DrugBank,drug,[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2,DRUG_3326
3327,3327,3327,3327,3327,3327,3327,3327,DB00646,Nystatin,DrugBank,drug,[H][C@]12C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@](O)(C[C@H](O)[C@H]1C(O)=O)O2,DRUG_3327
3328,3328,3328,3328,3328,3328,3328,3328,DB11555,Zolazepam,DrugBank,drug,CN1N=C(C)C2=C1N(C)C(=O)CN=C2C1=CC=CC=C1F,DRUG_3328
3329,3329,3329,3329,3329,3329,3329,3329,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",DrugBank,drug,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC,DRUG_3329
3330,3330,3330,3330,3330,3330,3330,3330,DB00537,Ciprofloxacin,DrugBank,drug,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,DRUG_3330
3331,3331,3331,3331,3331,3331,3331,3331,DB11708,Peficitinib,DrugBank,drug,NC(=O)C1=CN=C2NC=CC2=C1N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2,DRUG_3331
3332,3332,3332,3332,3332,3332,3332,3332,DB00692,Phentolamine,DrugBank,drug,CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1,DRUG_3332
3333,3333,3333,3333,3333,3333,3333,3333,DB00565,Cisatracurium,DrugBank,drug,COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2,DRUG_3333
3334,3334,3334,3334,3334,3334,3334,3334,DB09254,Caroxazone,DrugBank,drug,NC(=O)CN1CC2=CC=CC=C2OC1=O,DRUG_3334
3335,3335,3335,3335,3335,3335,3335,3335,DB12104,Tarextumab,DrugBank,drug,,DRUG_3335
3336,3336,3336,3336,3336,3336,3336,3336,DB13749,Magnesium gluconate,DrugBank,drug,O.O.[Mg++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,DRUG_3336
3337,3337,3337,3337,3337,3337,3337,3337,DB00948,Mezlocillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O,DRUG_3337
3338,3338,3338,3338,3338,3338,3338,3338,DB11775,PF-03758309,DrugBank,drug,CN(C)C[C@@H](NC(=O)N1CC2=C(NN=C2NC2=C3SC=CC3=NC(C)=N2)C1(C)C)C1=CC=CC=C1,DRUG_3338
3339,3339,3339,3339,3339,3339,3339,3339,DB18080,Unesbulin,DrugBank,drug,CC1=NC2=CC=C(F)C=C2N1C1=NC(N)=C(F)C(NC2=CC=C(C=C2)C(F)(F)F)=N1,DRUG_3339
3340,3340,3340,3340,3340,3340,3340,3340,DB15297,Petesicatib,DrugBank,drug,CN1C=C(C=N1)C1=CC(=C(C=C1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N)C(F)(F)F,DRUG_3340
3341,3341,3341,3341,3341,3341,3341,3341,DB16252,Nedisertib,DrugBank,drug,COC1=NN=C(C=C1)[C@@H](O)C1=C(Cl)C=C(F)C(=C1)C1=NC=NC2=C1C=CC(=C2)N1CCOCC1,DRUG_3341
3342,3342,3342,3342,3342,3342,3342,3342,DB09260,Parnaparin,DrugBank,drug,,DRUG_3342
3343,3343,3343,3343,3343,3343,3343,3343,DB07121,"4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",DrugBank,drug,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO,DRUG_3343
3344,3344,3344,3344,3344,3344,3344,3344,DB04840,Debrisoquine,DrugBank,drug,NC(=N)N1CCC2=CC=CC=C2C1,DRUG_3344
3345,3345,3345,3345,3345,3345,3345,3345,DB12188,Zicronapine,DrugBank,drug,CN1CCN(CC1(C)C)[C@@H]1C[C@H](C2=C1C=C(Cl)C=C2)C1=CC=CC=C1,DRUG_3345
3346,3346,3346,3346,3346,3346,3346,3346,DB08238,5-aminonaphthalene-2-sulfonic acid,DrugBank,drug,NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,DRUG_3346
3347,3347,3347,3347,3347,3347,3347,3347,DB14487,Zinc acetate,DrugBank,drug,[Zn++].CC([O-])=O.CC([O-])=O,DRUG_3347
3348,3348,3348,3348,3348,3348,3348,3348,DB12576,AZD-3043,DrugBank,drug,CCCOC(=O)CC1=CC=C(OCC(=O)N(CC)CC)C(OCC)=C1,DRUG_3348
3349,3349,3349,3349,3349,3349,3349,3349,DB01624,Zuclopenthixol,DrugBank,drug,OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1,DRUG_3349
3350,3350,3350,3350,3350,3350,3350,3350,DB15288,Etamicastat,DrugBank,drug,NCCC1=CNC(=S)N1[C@H]1COC2=C(C1)C=C(F)C=C2F,DRUG_3350
3351,3351,3351,3351,3351,3351,3351,3351,DB02557,Phosphoramidon,DrugBank,drug,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](CC1=CNC2=CC=CC=C12)C(O)=O,DRUG_3351
3352,3352,3352,3352,3352,3352,3352,3352,DB00078,Ibritumomab tiuxetan,DrugBank,drug,,DRUG_3352
3353,3353,3353,3353,3353,3353,3353,3353,DB09028,Cytisine,DrugBank,drug,[H][C@@]12CNC[C@@]([H])(C1)C1=CC=CC(=O)N1C2,DRUG_3353
3354,3354,3354,3354,3354,3354,3354,3354,DB16665,Idecabtagene vicleucel,DrugBank,drug,,DRUG_3354
3355,3355,3355,3355,3355,3355,3355,3355,DB05309,TP-508,DrugBank,drug,,DRUG_3355
3356,3356,3356,3356,3356,3356,3356,3356,DB02745,Uridine,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,DRUG_3356
3357,3357,3357,3357,3357,3357,3357,3357,DB13448,Mazaticol,DrugBank,drug,CN1[C@@H]2CCC(C)(C)[C@@H]1C[C@@H](C2)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,DRUG_3357
3358,3358,3358,3358,3358,3358,3358,3358,DB12123,Cinepazide,DrugBank,drug,COC1=CC(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)=CC(OC)=C1OC,DRUG_3358
3359,3359,3359,3359,3359,3359,3359,3359,DB07839,"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE",DrugBank,drug,[H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1,DRUG_3359
3360,3360,3360,3360,3360,3360,3360,3360,DB04282,2-deoxy-2-fluoro-α-D-glucose,DrugBank,drug,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F,DRUG_3360
3361,3361,3361,3361,3361,3361,3361,3361,DB01963,Phenylethane Boronic Acid,DrugBank,drug,OB(O)CCC1=CC=CC=C1,DRUG_3361
3362,3362,3362,3362,3362,3362,3362,3362,DB02950,Hymenialdisine,DrugBank,drug,[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O,DRUG_3362
3363,3363,3363,3363,3363,3363,3363,3363,DB16341,Tilsotolimod,DrugBank,drug,,DRUG_3363
3364,3364,3364,3364,3364,3364,3364,3364,DB04215,CRA_9076,DrugBank,drug,CC1=CC(Br)=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+],DRUG_3364
3365,3365,3365,3365,3365,3365,3365,3365,DB06820,Sulconazole,DrugBank,drug,ClC1=CC=C(CSC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_3365
3366,3366,3366,3366,3366,3366,3366,3366,DB04029,Phenylalanylamide,DrugBank,drug,N[C@@H](CC1=CC=CC=C1)C(N)=O,DRUG_3366
3367,3367,3367,3367,3367,3367,3367,3367,DB00046,Insulin lispro,DrugBank,drug,,DRUG_3367
3368,3368,3368,3368,3368,3368,3368,3368,DB01198,Zopiclone,DrugBank,drug,CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,DRUG_3368
3369,3369,3369,3369,3369,3369,3369,3369,DB12669,4SC-203,DrugBank,drug,COC1=CC=C(C)C=C1NC(=O)NC1=NC2=CC=C(NC3=NC=NC4=CC(OCCCN5CCN(C)CC5)=C(OC)C=C34)C=C2S1,DRUG_3369
3370,3370,3370,3370,3370,3370,3370,3370,DB12101,Iberdomide,DrugBank,drug,O=C1N(CC2=C1C=CC=C2OCC1=CC=C(CN2CCOCC2)C=C1)[C@H]1CCC(=O)NC1=O,DRUG_3370
3371,3371,3371,3371,3371,3371,3371,3371,DB00166,Lipoic acid,DrugBank,drug,OC(=O)CCCC[C@@H]1CCSS1,DRUG_3371
3372,3372,3372,3372,3372,3372,3372,3372,DB14597,Lanadelumab,DrugBank,drug,,DRUG_3372
3373,3373,3373,3373,3373,3373,3373,3373,DB07908,7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN,DrugBank,drug,CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12,DRUG_3373
3374,3374,3374,3374,3374,3374,3374,3374,DB01378,Magnesium cation,DrugBank,drug,[Mg++],DRUG_3374
3375,3375,3375,3375,3375,3375,3375,3375,DB07233,N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan,DrugBank,drug,[H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O,DRUG_3375
3376,3376,3376,3376,3376,3376,3376,3376,DB08213,"1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE",DrugBank,drug,[H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O,DRUG_3376
3377,3377,3377,3377,3377,3377,3377,3377,DB07870,Haloxyfop-P,DrugBank,drug,C[C@@H](OC1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)C(O)=O,DRUG_3377
3378,3378,3378,3378,3378,3378,3378,3378,DB08560,3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE,DrugBank,drug,FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1,DRUG_3378
3379,3379,3379,3379,3379,3379,3379,3379,DB01047,Fluocinonide,DrugBank,drug,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O,DRUG_3379
3380,3380,3380,3380,3380,3380,3380,3380,DB07419,S-23,DrugBank,drug,C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,DRUG_3380
3381,3381,3381,3381,3381,3381,3381,3381,DB13648,Alcuronium,DrugBank,drug,[H][C@@]12C[C@@]3([H])\C(C[N@+]1(CC=C)CC[C@@]21C2=C(C=CC=C2)N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])C1=C(C=CC=C1)[C@@]51CC[N@@+]2(CC=C)C\C(=C\CO)[C@]4([H])C[C@@]12[H])=C/CO,DRUG_3381
3382,3382,3382,3382,3382,3382,3382,3382,DB05432,DAS-431 IV,DrugBank,drug,,DRUG_3382
3383,3383,3383,3383,3383,3383,3383,3383,DB00640,Adenosine,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_3383
3384,3384,3384,3384,3384,3384,3384,3384,DB13366,Hydrochloric acid,DrugBank,drug,Cl,DRUG_3384
3385,3385,3385,3385,3385,3385,3385,3385,DB15434,Mosunetuzumab,DrugBank,drug,,DRUG_3385
3386,3386,3386,3386,3386,3386,3386,3386,DB11964,Ilaprazole,DrugBank,drug,COC1=C(C)C(CS(=O)C2=NC3=C(N2)C=CC(=C3)N2C=CC=C2)=NC=C1,DRUG_3386
3387,3387,3387,3387,3387,3387,3387,3387,DB14951,Etirinotecan pegol,DrugBank,drug,,DRUG_3387
3388,3388,3388,3388,3388,3388,3388,3388,DB13387,Hematin,DrugBank,drug,[OH-].[Fe+3].CC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C=C)=C5C)C(C=C)=C4C)C(C)=C3CCC(O)=O)=C1CCC(O)=O,DRUG_3388
3389,3389,3389,3389,3389,3389,3389,3389,DB13152,Coagulation Factor IX Human,DrugBank,drug,,DRUG_3389
3390,3390,3390,3390,3390,3390,3390,3390,DB00258,Calcium acetate,DrugBank,drug,[Ca++].CC([O-])=O.CC([O-])=O,DRUG_3390
3391,3391,3391,3391,3391,3391,3391,3391,DB16672,Epcoritamab,DrugBank,drug,,DRUG_3391
3392,3392,3392,3392,3392,3392,3392,3392,DB05928,Dovitinib,DrugBank,drug,CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=C(N)C2=C(NC1=O)C=CC=C2F,DRUG_3392
3393,3393,3393,3393,3393,3393,3393,3393,DB01571,3-Methylfentanyl,DrugBank,drug,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1,DRUG_3393
3394,3394,3394,3394,3394,3394,3394,3394,DB06365,Sapacitabine,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1C#N,DRUG_3394
3395,3395,3395,3395,3395,3395,3395,3395,DB09284,Imolamine,DrugBank,drug,CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1,DRUG_3395
3396,3396,3396,3396,3396,3396,3396,3396,DB00540,Nortriptyline,DrugBank,drug,CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_3396
3397,3397,3397,3397,3397,3397,3397,3397,DB02860,Calyculin A,DrugBank,drug,[H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC,DRUG_3397
3398,3398,3398,3398,3398,3398,3398,3398,DB07992,Indoxyl sulfate,DrugBank,drug,OS(=O)(=O)OC1=CNC2=CC=CC=C12,DRUG_3398
3399,3399,3399,3399,3399,3399,3399,3399,DB05787,LM-609,DrugBank,drug,,DRUG_3399
3400,3400,3400,3400,3400,3400,3400,3400,DB01161,Chloroprocaine,DrugBank,drug,CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1,DRUG_3400
3401,3401,3401,3401,3401,3401,3401,3401,DB03311,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide",DrugBank,drug,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,DRUG_3401
3402,3402,3402,3402,3402,3402,3402,3402,DB13753,Cetiedil,DrugBank,drug,O=C(OCCN1CCCCCC1)C(C1CCCCC1)C1=CSC=C1,DRUG_3402
3403,3403,3403,3403,3403,3403,3403,3403,DB12257,Platinum,DrugBank,drug,[Pt],DRUG_3403
3404,3404,3404,3404,3404,3404,3404,3404,DB01685,Topiroxostat,DrugBank,drug,N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1,DRUG_3404
3405,3405,3405,3405,3405,3405,3405,3405,DB03098,[Methylseleno]Acetate,DrugBank,drug,C[Se]CC([O-])=O,DRUG_3405
3406,3406,3406,3406,3406,3406,3406,3406,DB04787,Tanaproget,DrugBank,drug,CN1C(=CC=C1C1=CC=C2NC(=S)OC(C)(C)C2=C1)C#N,DRUG_3406
3407,3407,3407,3407,3407,3407,3407,3407,DB15450,PF-05105679,DrugBank,drug,C[C@@H](N(CC1=CC(=CC=C1)C(O)=O)C(=O)C1=CC2=C(C=CC=C2)N=C1)C1=CC=C(F)C=C1,DRUG_3407
3408,3408,3408,3408,3408,3408,3408,3408,DB05545,AMG 108,DrugBank,drug,,DRUG_3408
3409,3409,3409,3409,3409,3409,3409,3409,DB13602,Promegestone,DrugBank,drug,CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C,DRUG_3409
3410,3410,3410,3410,3410,3410,3410,3410,DB00775,Tirofiban,DrugBank,drug,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O,DRUG_3410
3411,3411,3411,3411,3411,3411,3411,3411,DB03013,N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine,DrugBank,drug,CC(=O)N[C@H]1[C@H](O)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,DRUG_3411
3412,3412,3412,3412,3412,3412,3412,3412,DB00427,Triprolidine,DrugBank,drug,CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1,DRUG_3412
3413,3413,3413,3413,3413,3413,3413,3413,DB03410,4-hydroxycoumarin,DrugBank,drug,OC1=CC(=O)OC2=CC=CC=C12,DRUG_3413
3414,3414,3414,3414,3414,3414,3414,3414,DB14516,Sodium cation,DrugBank,drug,[Na+],DRUG_3414
3415,3415,3415,3415,3415,3415,3415,3415,DB07322,"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1,DRUG_3415
3416,3416,3416,3416,3416,3416,3416,3416,DB02888,FKB-001,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1,DRUG_3416
3417,3417,3417,3417,3417,3417,3417,3417,DB16153,Eltanexor,DrugBank,drug,NC(=O)C(=C\N1C=NC(=N1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)\C1=CN=CN=C1,DRUG_3417
3418,3418,3418,3418,3418,3418,3418,3418,DB03754,Tromethamine,DrugBank,drug,NC(CO)(CO)CO,DRUG_3418
3419,3419,3419,3419,3419,3419,3419,3419,DB16004,Butedronic acid,DrugBank,drug,OC(=O)CC(C(P(O)(O)=O)P(O)(O)=O)C(O)=O,DRUG_3419
3420,3420,3420,3420,3420,3420,3420,3420,DB09259,Reviparin,DrugBank,drug,,DRUG_3420
3421,3421,3421,3421,3421,3421,3421,3421,DB12221,Canrenone,DrugBank,drug,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,DRUG_3421
3422,3422,3422,3422,3422,3422,3422,3422,DB05437,NAV 1800,DrugBank,drug,,DRUG_3422
3423,3423,3423,3423,3423,3423,3423,3423,DB00473,Hexylcaine,DrugBank,drug,CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1,DRUG_3423
3424,3424,3424,3424,3424,3424,3424,3424,DB16353,Razuprotafib,DrugBank,drug,COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(O)(=O)=O)C=C1)C1=CSC(=N1)C1=CC=CS1,DRUG_3424
3425,3425,3425,3425,3425,3425,3425,3425,DB15446,Vidofludimus,DrugBank,drug,COC1=CC(=CC=C1)C1=CC=C(NC(=O)C2=C(CCC2)C(O)=O)C(F)=C1,DRUG_3425
3426,3426,3426,3426,3426,3426,3426,3426,DB14231,Quinoline Yellow WS,DrugBank,drug,,DRUG_3426
3427,3427,3427,3427,3427,3427,3427,3427,DB13530,Mepindolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC2=C1C=C(C)N2,DRUG_3427
3428,3428,3428,3428,3428,3428,3428,3428,DB12057,ORM-12741,DrugBank,drug,COC[C@@]1(C)CCCN2CCC3=C(OC4=CC=CC=C34)[C@H]12,DRUG_3428
3429,3429,3429,3429,3429,3429,3429,3429,DB00054,Abciximab,DrugBank,drug,,DRUG_3429
3430,3430,3430,3430,3430,3430,3430,3430,DB08827,Lomitapide,DrugBank,drug,FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12,DRUG_3430
3431,3431,3431,3431,3431,3431,3431,3431,DB00645,Dyclonine,DrugBank,drug,CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1,DRUG_3431
3432,3432,3432,3432,3432,3432,3432,3432,DB13001,Tinoridine,DrugBank,drug,CCOC(=O)C1=C(N)SC2=C1CCN(CC1=CC=CC=C1)C2,DRUG_3432
3433,3433,3433,3433,3433,3433,3433,3433,DB01252,Mitiglinide,DrugBank,drug,[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O,DRUG_3433
3434,3434,3434,3434,3434,3434,3434,3434,DB01098,Rosuvastatin,DrugBank,drug,CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O,DRUG_3434
3435,3435,3435,3435,3435,3435,3435,3435,DB01345,Potassium cation,DrugBank,drug,[K+],DRUG_3435
3436,3436,3436,3436,3436,3436,3436,3436,DB05861,Tasquinimod,DrugBank,drug,COC1=CC=CC2=C1C(O)=C(C(=O)N(C)C1=CC=C(C=C1)C(F)(F)F)C(=O)N2C,DRUG_3436
3437,3437,3437,3437,3437,3437,3437,3437,DB00755,Tretinoin,DrugBank,drug,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,DRUG_3437
3438,3438,3438,3438,3438,3438,3438,3438,DB11154,Zinc citrate,DrugBank,drug,[Zn++].[Zn++].[Zn++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_3438
3439,3439,3439,3439,3439,3439,3439,3439,DB09061,Cannabidiol,DrugBank,drug,CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1,DRUG_3439
3440,3440,3440,3440,3440,3440,3440,3440,DB09037,Pembrolizumab,DrugBank,drug,,DRUG_3440
3441,3441,3441,3441,3441,3441,3441,3441,DB00210,Adapalene,DrugBank,drug,COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2,DRUG_3441
3442,3442,3442,3442,3442,3442,3442,3442,DB09502,Fludeoxyglucose (18F),DrugBank,drug,[H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_3442
3443,3443,3443,3443,3443,3443,3443,3443,DB13598,Diethyl ether,DrugBank,drug,CCOCC,DRUG_3443
3444,3444,3444,3444,3444,3444,3444,3444,DB06859,N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE,DrugBank,drug,NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1,DRUG_3444
3445,3445,3445,3445,3445,3445,3445,3445,DB14892,Spartalizumab,DrugBank,drug,,DRUG_3445
3446,3446,3446,3446,3446,3446,3446,3446,DB01567,Fludiazepam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,DRUG_3446
3447,3447,3447,3447,3447,3447,3447,3447,DB01731,(S)-wiskostatin,DrugBank,drug,CN(C)C[C@H](O)CN1C2=CC=C(Br)C=C2C2=C1C=CC(Br)=C2,DRUG_3447
3448,3448,3448,3448,3448,3448,3448,3448,DB06096,NXN-188,DrugBank,drug,,DRUG_3448
3449,3449,3449,3449,3449,3449,3449,3449,DB07198,5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE,DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N,DRUG_3449
3450,3450,3450,3450,3450,3450,3450,3450,DB00051,Adalimumab,DrugBank,drug,,DRUG_3450
3451,3451,3451,3451,3451,3451,3451,3451,DB03065,7-Nitroindazole-2-Carboxamidine,DrugBank,drug,NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O,DRUG_3451
3452,3452,3452,3452,3452,3452,3452,3452,DB15483,Modified vaccinia ankara,DrugBank,drug,,DRUG_3452
3453,3453,3453,3453,3453,3453,3453,3453,DB03169,(S)-Hmg-Coa,DrugBank,drug,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,DRUG_3453
3454,3454,3454,3454,3454,3454,3454,3454,DB12850,Etalocib,DrugBank,drug,CCCC1=C(OCCCOC2=CC(O)=C(C=C2CC)C2=CC=C(F)C=C2)C=CC=C1OC1=CC=CC=C1C(O)=O,DRUG_3454
3455,3455,3455,3455,3455,3455,3455,3455,DB14016,Ox bile extract,DrugBank,drug,,DRUG_3455
3456,3456,3456,3456,3456,3456,3456,3456,DB00408,Loxapine,DrugBank,drug,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2,DRUG_3456
3457,3457,3457,3457,3457,3457,3457,3457,DB06590,Ceftaroline fosamil,DrugBank,drug,[H][C@]12SCC(SC3=NC(=CS3)C3=CC=[N+](C)C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C1=NSC(NP(O)(O)=O)=N1)C([O-])=O,DRUG_3457
3458,3458,3458,3458,3458,3458,3458,3458,DB13406,Carbutamide,DrugBank,drug,CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_3458
3459,3459,3459,3459,3459,3459,3459,3459,DB07866,"(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one",DrugBank,drug,CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O,DRUG_3459
3460,3460,3460,3460,3460,3460,3460,3460,DB00892,Oxybuprocaine,DrugBank,drug,CCCCOC1=CC(=CC=C1N)C(=O)OCCN(CC)CC,DRUG_3460
3461,3461,3461,3461,3461,3461,3461,3461,DB06159,Rubitecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O,DRUG_3461
3462,3462,3462,3462,3462,3462,3462,3462,DB01758,3-Iodo-Tyrosine,DrugBank,drug,N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O,DRUG_3462
3463,3463,3463,3463,3463,3463,3463,3463,DB06470,Clomethiazole,DrugBank,drug,CC1=C(CCCl)SC=N1,DRUG_3463
3464,3464,3464,3464,3464,3464,3464,3464,DB12952,Methylprednisone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,DRUG_3464
3465,3465,3465,3465,3465,3465,3465,3465,DB07787,"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE",DrugBank,drug,FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1,DRUG_3465
3466,3466,3466,3466,3466,3466,3466,3466,DB14503,"Sodium phosphate, monobasic, unspecified form",DrugBank,drug,,DRUG_3466
3467,3467,3467,3467,3467,3467,3467,3467,DB11685,Figitumumab,DrugBank,drug,,DRUG_3467
3468,3468,3468,3468,3468,3468,3468,3468,DB13217,Fentiazac,DrugBank,drug,OC(=O)CC1=C(N=C(S1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_3468
3469,3469,3469,3469,3469,3469,3469,3469,DB13169,Nandrolone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_3469
3470,3470,3470,3470,3470,3470,3470,3470,DB14868,AZD-8848,DrugBank,drug,CCCCOC1=NC2=C(NC(=O)N2CCCN(CCCN2CCOCC2)CC2=CC=CC(CC(=O)OC)=C2)C(N)=N1,DRUG_3470
3471,3471,3471,3471,3471,3471,3471,3471,DB11635,Tocofersolan,DrugBank,drug,,DRUG_3471
3472,3472,3472,3472,3472,3472,3472,3472,DB07983,1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID,DrugBank,drug,COC1=CC=C2N(C(=O)C3=CC=C(I)C=C3)C(C)=C(CC(O)=O)C2=C1,DRUG_3472
3473,3473,3473,3473,3473,3473,3473,3473,DB01083,Orlistat,DrugBank,drug,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,DRUG_3473
3474,3474,3474,3474,3474,3474,3474,3474,DB01467,"2,5-Dimethoxy-4-ethylamphetamine",DrugBank,drug,CCC1=CC(OC)=C(CC(C)N)C=C1OC,DRUG_3474
3475,3475,3475,3475,3475,3475,3475,3475,DB07023,"(1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate",DrugBank,drug,[H]N([H])C(=NC[C@H](OC(=O)C1=CN=CC=C1)C1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],DRUG_3475
3476,3476,3476,3476,3476,3476,3476,3476,DB02750,S-(Methylmercury)-L-Cysteine,DrugBank,drug,C[Hg]SC[C@@H](N)C(O)=O,DRUG_3476
3477,3477,3477,3477,3477,3477,3477,3477,DB01677,Fumaric acid,DrugBank,drug,OC(=O)\C=C\C(O)=O,DRUG_3477
3478,3478,3478,3478,3478,3478,3478,3478,DB06156,Tesofensine,DrugBank,drug,CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C,DRUG_3478
3479,3479,3479,3479,3479,3479,3479,3479,DB01700,AICA ribonucleotide,DrugBank,drug,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_3479
3480,3480,3480,3480,3480,3480,3480,3480,DB12571,Rimacalib,DrugBank,drug,[H][C@@](C)(C1=NOC(NC(=N)N2CCOCC2)=C1)C1=CC=C(C(F)=C1)C1=CC=CC=C1,DRUG_3480
3481,3481,3481,3481,3481,3481,3481,3481,DB06201,Rufinamide,DrugBank,drug,NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1,DRUG_3481
3482,3482,3482,3482,3482,3482,3482,3482,DB00481,Raloxifene,DrugBank,drug,OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,DRUG_3482
3483,3483,3483,3483,3483,3483,3483,3483,DB01096,Oxamniquine,DrugBank,drug,CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O,DRUG_3483
3484,3484,3484,3484,3484,3484,3484,3484,DB14784,Gancotamab,DrugBank,drug,,DRUG_3484
3485,3485,3485,3485,3485,3485,3485,3485,DB13682,Cefpirome,DrugBank,drug,[H][C@]12SCC(C[N+]3=C4CCCC4=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C([O-])=O,DRUG_3485
3486,3486,3486,3486,3486,3486,3486,3486,DB16516,TM5614,DrugBank,drug,,DRUG_3486
3487,3487,3487,3487,3487,3487,3487,3487,DB03061,(R)-N-(1-Methyl-Hexyl)-Formamide,DrugBank,drug,CCCCC[C@H](C)NC=O,DRUG_3487
3488,3488,3488,3488,3488,3488,3488,3488,DB04898,Ximelagatran,DrugBank,drug,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1,DRUG_3488
3489,3489,3489,3489,3489,3489,3489,3489,DB08096,"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM",DrugBank,drug,CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2,DRUG_3489
3490,3490,3490,3490,3490,3490,3490,3490,DB11671,AZD-4877,DrugBank,drug,CC(C)C(N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=C(C(C)=NS2)C(=O)N1CC1=CC=CC=C1,DRUG_3490
3491,3491,3491,3491,3491,3491,3491,3491,DB07555,"Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium",DrugBank,drug,[H][C@](OCC[As+](C)(C)C)(C1=CC=CC=C1[N+](O)=O)C(F)(F)F,DRUG_3491
3492,3492,3492,3492,3492,3492,3492,3492,DB12404,Remimazolam,DrugBank,drug,COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12,DRUG_3492
3493,3493,3493,3493,3493,3493,3493,3493,DB03331,"N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine",DrugBank,drug,[H]N(CC1=CC=CC2=CC=CC=C12)C1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N([H])C(=O)C3=CC(OC)=CC(OC)=C3)C2=NC=N1,DRUG_3493
3494,3494,3494,3494,3494,3494,3494,3494,DB07455,"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide",DrugBank,drug,[H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O,DRUG_3494
3495,3495,3495,3495,3495,3495,3495,3495,DB19210,SX-682,DrugBank,drug,OB(O)C1=CC=C(OC(F)(F)F)C=C1CSC1=NC=C(C=N1)C(=O)NC1=CC=C(F)C=C1,DRUG_3495
3496,3496,3496,3496,3496,3496,3496,3496,DB02589,Se-Ethyl-Isoselenourea,DrugBank,drug,CC[Se]C(N)=N,DRUG_3496
3497,3497,3497,3497,3497,3497,3497,3497,DB15393,Telatinib,DrugBank,drug,CNC(=O)C1=CC(COC2=C3OC=CC3=C(NC3=CC=C(Cl)C=C3)N=N2)=CC=N1,DRUG_3497
3498,3498,3498,3498,3498,3498,3498,3498,DB00763,Methimazole,DrugBank,drug,CN1C=CNC1=S,DRUG_3498
3499,3499,3499,3499,3499,3499,3499,3499,DB00223,Diflorasone,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_3499
3500,3500,3500,3500,3500,3500,3500,3500,DB15085,Fulacimstat,DrugBank,drug,CN1C(=O)OC2=CC(=CC=C12)N1C=C(C(O)=O)C(=O)N([C@@H]2CCC3=C(C=CC=C23)C(F)(F)F)C1=O,DRUG_3500
3501,3501,3501,3501,3501,3501,3501,3501,DB03000,S-9-(2-hydroxypropyl)adenine,DrugBank,drug,[H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12,DRUG_3501
3502,3502,3502,3502,3502,3502,3502,3502,DB06264,Tolperisone,DrugBank,drug,CC(CN1CCCCC1)C(=O)C1=CC=C(C)C=C1,DRUG_3502
3503,3503,3503,3503,3503,3503,3503,3503,DB04043,Carboxymycobactin T,DrugBank,drug,OC(=O)CCCCCC\C=C/[C@@H]1O[Fe@]23ON1CCCC[C@@H](NC(=O)[C@@H]1CO[C@H](N1)C1=CC=CC=C1O2)C(=O)OCCC(=O)N[C@@H]1CCCCN(O3)C1=O,DRUG_3503
3504,3504,3504,3504,3504,3504,3504,3504,DB06229,Ocaperidone,DrugBank,drug,CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12,DRUG_3504
3505,3505,3505,3505,3505,3505,3505,3505,DB08055,"N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",DrugBank,drug,ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1,DRUG_3505
3506,3506,3506,3506,3506,3506,3506,3506,DB14132,8-chlorotheophylline,DrugBank,drug,CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O,DRUG_3506
3507,3507,3507,3507,3507,3507,3507,3507,DB04334,6-hydroxydopa quinone,DrugBank,drug,N[C@@H](CC1=CC(=O)C(O)=CC1=O)C(O)=O,DRUG_3507
3508,3508,3508,3508,3508,3508,3508,3508,DB12550,Taladegib,DrugBank,drug,CN(C1CCN(CC1)C1=NN=C(C2=CC=NN2C)C2=CC=CC=C12)C(=O)C1=C(C=C(F)C=C1)C(F)(F)F,DRUG_3508
3509,3509,3509,3509,3509,3509,3509,3509,DB09114,Colfosceril palmitate,DrugBank,drug,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,DRUG_3509
3510,3510,3510,3510,3510,3510,3510,3510,DB12893,Sacituzumab govitecan,DrugBank,drug,,DRUG_3510
3511,3511,3511,3511,3511,3511,3511,3511,DB13040,Gandotinib,DrugBank,drug,CC1=CC(NC2=NN3C(CC4=CC=C(Cl)C=C4F)=C(C)N=C3C(CN3CCOCC3)=C2)=NN1,DRUG_3511
3512,3512,3512,3512,3512,3512,3512,3512,DB16927,S-Apomorphine,DrugBank,drug,[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=C1C(CCN2C)=CC=C3,DRUG_3512
3513,3513,3513,3513,3513,3513,3513,3513,DB05590,Bedoradrine,DrugBank,drug,CN(C)C(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=C(O)C(CCO)=C1,DRUG_3513
3514,3514,3514,3514,3514,3514,3514,3514,DB06772,Cabazitaxel,DrugBank,drug,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C,DRUG_3514
3515,3515,3515,3515,3515,3515,3515,3515,DB08296,5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID,DrugBank,drug,OC(=O)CCCC[P@]([O-])(=O)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_3515
3516,3516,3516,3516,3516,3516,3516,3516,DB00619,Imatinib,DrugBank,drug,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1,DRUG_3516
3517,3517,3517,3517,3517,3517,3517,3517,DB06552,Anpocogin,DrugBank,drug,,DRUG_3517
3518,3518,3518,3518,3518,3518,3518,3518,DB16416,Vilobelimab,DrugBank,drug,,DRUG_3518
3519,3519,3519,3519,3519,3519,3519,3519,DB08882,Linagliptin,DrugBank,drug,CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1,DRUG_3519
3520,3520,3520,3520,3520,3520,3520,3520,DB12429,CI-1040,DrugBank,drug,FC1=C(F)C(NC2=CC=C(I)C=C2Cl)=C(C=C1)C(=O)NOCC1CC1,DRUG_3520
3521,3521,3521,3521,3521,3521,3521,3521,DB06647,Volociximab,DrugBank,drug,,DRUG_3521
3522,3522,3522,3522,3522,3522,3522,3522,DB07563,"1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine",DrugBank,drug,CN1CCN(CC1)C1=CC=C(CC2=CC3=CN=C(CN)N=C3N2C2CCCCC2)C=C1,DRUG_3522
3523,3523,3523,3523,3523,3523,3523,3523,DB11940,Triapine,DrugBank,drug,NC(=S)N\N=C\C1=C(N)C=CC=N1,DRUG_3523
3524,3524,3524,3524,3524,3524,3524,3524,DB16272,Orelabrutinib,DrugBank,drug,NC(=O)C1=CC=C(N=C1C1=CC=C(OC2=CC=CC=C2)C=C1)C1CCN(CC1)C(=O)C=C,DRUG_3524
3525,3525,3525,3525,3525,3525,3525,3525,DB03028,1h-Benoximidazole-2-Carboxylic Acid,DrugBank,drug,OC(=O)C1=NC2=CC=CC=C2N1,DRUG_3525
3526,3526,3526,3526,3526,3526,3526,3526,DB13420,Thiazinam,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)[N+](C)(C)C,DRUG_3526
3527,3527,3527,3527,3527,3527,3527,3527,DB01686,"N,N-dimethylarginine",DrugBank,drug,N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O,DRUG_3527
3528,3528,3528,3528,3528,3528,3528,3528,DB05075,TG-100801,DrugBank,drug,CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl,DRUG_3528
3529,3529,3529,3529,3529,3529,3529,3529,DB00794,Primidone,DrugBank,drug,CCC1(C(=O)NCNC1=O)C1=CC=CC=C1,DRUG_3529
3530,3530,3530,3530,3530,3530,3530,3530,DB16655,Teclistamab,DrugBank,drug,,DRUG_3530
3531,3531,3531,3531,3531,3531,3531,3531,DB17277,CBP-501,DrugBank,drug,N[C@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CO)C(=O)N[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(O)=O,DRUG_3531
3532,3532,3532,3532,3532,3532,3532,3532,DB00752,Tranylcypromine,DrugBank,drug,NC1CC1C1=CC=CC=C1,DRUG_3532
3533,3533,3533,3533,3533,3533,3533,3533,DB04462,Tetrabromo-2-Benzotriazole,DrugBank,drug,[H]N1N=C2C(=N1)C(Br)=C(Br)C(Br)=C2Br,DRUG_3533
3534,3534,3534,3534,3534,3534,3534,3534,DB19277,Omilancor,DrugBank,drug,O=C(N1CCN(CC1)C(=O)C1=CC=CC(=N1)C1=NC2=CC=CC=C2N1)C1=CC=CC(=N1)C1=NC2=CC=CC=C2N1,DRUG_3534
3535,3535,3535,3535,3535,3535,3535,3535,DB13798,Demoxytocin,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O,DRUG_3535
3536,3536,3536,3536,3536,3536,3536,3536,DB14813,PF-232798,DrugBank,drug,CC(C)C(=O)N1CCC2=C(C1)N=C(C)N2[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(C)=O)C1=CC=CC(F)=C1,DRUG_3536
3537,3537,3537,3537,3537,3537,3537,3537,DB08814,Triflusal,DrugBank,drug,CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O,DRUG_3537
3538,3538,3538,3538,3538,3538,3538,3538,DB14523,Phosphate ion,DrugBank,drug,[O-]P([O-])([O-])=O,DRUG_3538
3539,3539,3539,3539,3539,3539,3539,3539,DB03314,5-fluorotryptophan,DrugBank,drug,N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O,DRUG_3539
3540,3540,3540,3540,3540,3540,3540,3540,DB01048,Abacavir,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1,DRUG_3540
3541,3541,3541,3541,3541,3541,3541,3541,DB05035,Eprotirome,DrugBank,drug,CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1,DRUG_3541
3542,3542,3542,3542,3542,3542,3542,3542,DB06506,Repinotan,DrugBank,drug,O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C2=CC=CC=C12,DRUG_3542
3543,3543,3543,3543,3543,3543,3543,3543,DB03968,"1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine",DrugBank,drug,CN1C(=O)CCC1(C)C,DRUG_3543
3544,3544,3544,3544,3544,3544,3544,3544,DB13123,OTX-008,DrugBank,drug,CN(C)CCNC(=O)COC1=C2CC3=CC=CC(CC4=CC=CC(CC5=C(OCC(=O)NCCN(C)C)C(CC1=CC=C2)=CC=C5)=C4OCC(=O)NCCN(C)C)=C3OCC(=O)NCCN(C)C,DRUG_3544
3545,3545,3545,3545,3545,3545,3545,3545,DB07212,N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE,DrugBank,drug,CC1=C(O)C=CC=C1C(=O)NC1=C2C=C(C=CC2=CC=C1)C(N)=N,DRUG_3545
3546,3546,3546,3546,3546,3546,3546,3546,DB14183,Geraniol,DrugBank,drug,CC(C)=CCC\C(C)=C\CO,DRUG_3546
3547,3547,3547,3547,3547,3547,3547,3547,DB02570,PD150606,DrugBank,drug,[H][C@](S)(CC1=CC=C(I)C=C1)C(O)=O,DRUG_3547
3548,3548,3548,3548,3548,3548,3548,3548,DB02044,N-[3-(aminomethyl)benzyl]acetamidine,DrugBank,drug,CC(=N)NCC1=CC(CN)=CC=C1,DRUG_3548
3549,3549,3549,3549,3549,3549,3549,3549,DB01100,Pimozide,DrugBank,drug,FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1,DRUG_3549
3550,3550,3550,3550,3550,3550,3550,3550,DB05339,MN-305,DrugBank,drug,Cl.C(CNC[C@H]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1,DRUG_3550
3551,3551,3551,3551,3551,3551,3551,3551,DB08060,4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID,DrugBank,drug,NC1=CC=CC=C1C(=O)CCC(O)=O,DRUG_3551
3552,3552,3552,3552,3552,3552,3552,3552,DB13708,Fenquizone,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2NC(NC(=O)C2=C1)C1=CC=CC=C1,DRUG_3552
3553,3553,3553,3553,3553,3553,3553,3553,DB05122,R1295,DrugBank,drug,,DRUG_3553
3554,3554,3554,3554,3554,3554,3554,3554,DB07320,"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID",DrugBank,drug,[H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O,DRUG_3554
3555,3555,3555,3555,3555,3555,3555,3555,DB12161,Deutetrabenazine,DrugBank,drug,[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,DRUG_3555
3556,3556,3556,3556,3556,3556,3556,3556,DB05214,KD7040,DrugBank,drug,,DRUG_3556
3557,3557,3557,3557,3557,3557,3557,3557,DB00666,Nafarelin,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,DRUG_3557
3558,3558,3558,3558,3558,3558,3558,3558,DB01029,Irbesartan,DrugBank,drug,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,DRUG_3558
3559,3559,3559,3559,3559,3559,3559,3559,DB01035,Procainamide,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC=C(N)C=C1,DRUG_3559
3560,3560,3560,3560,3560,3560,3560,3560,DB12181,Dalcetrapib,DrugBank,drug,CCC(CC)CC1(CCCCC1)C(=O)NC1=CC=CC=C1SC(=O)C(C)C,DRUG_3560
3561,3561,3561,3561,3561,3561,3561,3561,DB08619,Testosterone succinate,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O,DRUG_3561
3562,3562,3562,3562,3562,3562,3562,3562,DB04139,6-Hydroxypropylthymine,DrugBank,drug,CC1=C(CCCO)NC(=O)NC1=O,DRUG_3562
3563,3563,3563,3563,3563,3563,3563,3563,DB07584,"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine",DrugBank,drug,CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2,DRUG_3563
3564,3564,3564,3564,3564,3564,3564,3564,DB02287,2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine,DrugBank,drug,NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O,DRUG_3564
3565,3565,3565,3565,3565,3565,3565,3565,DB13155,Esculin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_3565
3566,3566,3566,3566,3566,3566,3566,3566,DB05306,Alferminogene tadenovec,DrugBank,drug,,DRUG_3566
3567,3567,3567,3567,3567,3567,3567,3567,DB14875,AZD-4017,DrugBank,drug,CCCSC1=C(C=CC(=N1)N1CCC[C@@H](CC(O)=O)C1)C(=O)NC1CCCCC1,DRUG_3567
3568,3568,3568,3568,3568,3568,3568,3568,DB03365,"4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline",DrugBank,drug,COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC,DRUG_3568
3569,3569,3569,3569,3569,3569,3569,3569,DB08626,Thiorphan,DrugBank,drug,[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O,DRUG_3569
3570,3570,3570,3570,3570,3570,3570,3570,DB03330,S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)C1=CC=C(I)C=C1)C(=O)NCC(O)=O)C(O)=O,DRUG_3570
3571,3571,3571,3571,3571,3571,3571,3571,DB00545,Pyridostigmine,DrugBank,drug,CN(C)C(=O)OC1=C[N+](C)=CC=C1,DRUG_3571
3572,3572,3572,3572,3572,3572,3572,3572,DB12714,Nerispirdine,DrugBank,drug,CCCN(N1C=C(C)C2=CC=CC=C12)C1=CC=NC=C1F,DRUG_3572
3573,3573,3573,3573,3573,3573,3573,3573,DB07350,(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide,DrugBank,drug,CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1,DRUG_3573
3574,3574,3574,3574,3574,3574,3574,3574,DB09400,Selenomethionine Se-75,DrugBank,drug,C[75Se]CC[C@H](N)C(O)=O,DRUG_3574
3575,3575,3575,3575,3575,3575,3575,3575,DB15408,Silmitasertib,DrugBank,drug,OC(=O)C1=CC2=C(C=C1)C1=C(C=CN=C1)C(NC1=CC(Cl)=CC=C1)=N2,DRUG_3575
3576,3576,3576,3576,3576,3576,3576,3576,DB02029,N-Cyclohexyl-N'-(4-Iodophenyl)Urea,DrugBank,drug,IC1=CC=C(NC(=O)NC2CCCCC2)C=C1,DRUG_3576
3577,3577,3577,3577,3577,3577,3577,3577,DB02183,Adenosine-5'-ditungstate,DrugBank,drug,NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1,DRUG_3577
3578,3578,3578,3578,3578,3578,3578,3578,DB02464,Benzylamine,DrugBank,drug,NCC1=CC=CC=C1,DRUG_3578
3579,3579,3579,3579,3579,3579,3579,3579,DB14791,GDC-0425,DrugBank,drug,CCN1CCC(CC1)OC1=C(N=CC2=C1C1=C(N2)N=CC=C1)C#N,DRUG_3579
3580,3580,3580,3580,3580,3580,3580,3580,DB01931,"5,7-Dichlorokynurenic acid",DrugBank,drug,OC(=O)C1=CC(O)=C2C(Cl)=CC(Cl)=CC2=N1,DRUG_3580
3581,3581,3581,3581,3581,3581,3581,3581,DB07341,"octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside",DrugBank,drug,[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@@]([H])(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]2([H])OCCCCCCCC)O[C@@]([H])(C)[C@@]1([H])O,DRUG_3581
3582,3582,3582,3582,3582,3582,3582,3582,DB04424,RPR128515,DrugBank,drug,COC(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=CC(CN)=C1,DRUG_3582
3583,3583,3583,3583,3583,3583,3583,3583,DB08612,"1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE",DrugBank,drug,CCCCCCCCSCC(=O)C(F)(F)F,DRUG_3583
3584,3584,3584,3584,3584,3584,3584,3584,DB06953,2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE,DrugBank,drug,[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N,DRUG_3584
3585,3585,3585,3585,3585,3585,3585,3585,DB07216,"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE",DrugBank,drug,[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1,DRUG_3585
3586,3586,3586,3586,3586,3586,3586,3586,DB05146,XL820,DrugBank,drug,,DRUG_3586
3587,3587,3587,3587,3587,3587,3587,3587,DB09271,Cimetropium,DrugBank,drug,[H][C@](CO)(C(=O)O[C@@]1([H])C[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1)[N+]2(C)CC1CC1)C1=CC=CC=C1,DRUG_3587
3588,3588,3588,3588,3588,3588,3588,3588,DB13382,Chlorproethazine,DrugBank,drug,CCN(CC)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,DRUG_3588
3589,3589,3589,3589,3589,3589,3589,3589,DB03845,P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate,DrugBank,drug,[H][C@@]1(C[C@]([H])(N=[N+]=[N-])[C@@]([H])(COP([O-])(=O)OP([O-])(=O)OP(O)(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O1)N1C=C(C)C([O-])=NC1=O,DRUG_3589
3590,3590,3590,3590,3590,3590,3590,3590,DB11124,Racepinephrine,DrugBank,drug,,DRUG_3590
3591,3591,3591,3591,3591,3591,3591,3591,DB07334,"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE",DrugBank,drug,CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1,DRUG_3591
3592,3592,3592,3592,3592,3592,3592,3592,DB06763,Saralasin,DrugBank,drug,[H]N([H])C(=NCCC[C@H](N([H])C(=O)CN([H])C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](CC1=CN=CN1[H])C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C)C(O)=O)N([H])[H],DRUG_3592
3593,3593,3593,3593,3593,3593,3593,3593,DB00926,Etretinate,DrugBank,drug,CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C,DRUG_3593
3594,3594,3594,3594,3594,3594,3594,3594,DB17578,TTI-101,DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)NC1=CC(=C(O)C2=CC=CC=C12)C1=C(O)C=CC2=CC=CC=C12,DRUG_3594
3595,3595,3595,3595,3595,3595,3595,3595,DB13005,Rebastinib,DrugBank,drug,CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC(=NN3C3=CC4=CC=CN=C4C=C3)C(C)(C)C)C(F)=C2)=CC=N1,DRUG_3595
3596,3596,3596,3596,3596,3596,3596,3596,DB13694,Distigmine,DrugBank,drug,CN(CCCCCCN(C)C(=O)OC1=C[N+](C)=CC=C1)C(=O)OC1=C[N+](C)=CC=C1,DRUG_3596
3597,3597,3597,3597,3597,3597,3597,3597,DB04988,IGN311,DrugBank,drug,,DRUG_3597
3598,3598,3598,3598,3598,3598,3598,3598,DB16043,PF-06882961,DrugBank,drug,OC(=O)C1=CC=C2N=C(CN3CCC(CC3)C3=NC(OCC4=CC=C(C=C4F)C#N)=CC=C3)N(C[C@@H]3CCO3)C2=C1,DRUG_3598
3599,3599,3599,3599,3599,3599,3599,3599,DB18046,Docarpamine,DrugBank,drug,CCOC(=O)OC1=CC=C(CCNC(=O)[C@H](CCSC)NC(C)=O)C=C1OC(=O)OCC,DRUG_3599
3600,3600,3600,3600,3600,3600,3600,3600,DB05524,Pelitinib,DrugBank,drug,CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N,DRUG_3600
3601,3601,3601,3601,3601,3601,3601,3601,DB09278,Activated charcoal,DrugBank,drug,[C],DRUG_3601
3602,3602,3602,3602,3602,3602,3602,3602,DB13681,Butalamine,DrugBank,drug,CCCCN(CCCC)CCNC1=NC(=NO1)C1=CC=CC=C1,DRUG_3602
3603,3603,3603,3603,3603,3603,3603,3603,DB07125,"4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid",DrugBank,drug,[H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O,DRUG_3603
3604,3604,3604,3604,3604,3604,3604,3604,DB00575,Clonidine,DrugBank,drug,ClC1=CC=CC(Cl)=C1NC1=NCCN1,DRUG_3604
3605,3605,3605,3605,3605,3605,3605,3605,DB03767,Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide,DrugBank,drug,[H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N,DRUG_3605
3606,3606,3606,3606,3606,3606,3606,3606,DB12483,Copanlisib,DrugBank,drug,COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21,DRUG_3606
3607,3607,3607,3607,3607,3607,3607,3607,DB03721,N-acetyl-alpha-neuraminic acid,DrugBank,drug,[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,DRUG_3607
3608,3608,3608,3608,3608,3608,3608,3608,DB07030,(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID,DrugBank,drug,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O,DRUG_3608
3609,3609,3609,3609,3609,3609,3609,3609,DB00350,Minoxidil,DrugBank,drug,NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1,DRUG_3609
3610,3610,3610,3610,3610,3610,3610,3610,DB02288,CRA-9334,DrugBank,drug,CC1=CC(Br)=C([O-])C(=C1)C1=NC2=CC(=CC=C2N1)C(N)=[NH2+],DRUG_3610
3611,3611,3611,3611,3611,3611,3611,3611,DB05771,LLL-3348,DrugBank,drug,,DRUG_3611
3612,3612,3612,3612,3612,3612,3612,3612,DB09107,Methoxy polyethylene glycol-epoetin beta,DrugBank,drug,,DRUG_3612
3613,3613,3613,3613,3613,3613,3613,3613,DB03448,2'-Deoxyuridine 3'-Monophosphate,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_3613
3614,3614,3614,3614,3614,3614,3614,3614,DB10317,Rubella virus vaccine,DrugBank,drug,,DRUG_3614
3615,3615,3615,3615,3615,3615,3615,3615,DB04875,Pralnacasan,DrugBank,drug,CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)C1=NC=CC2=CC=CC=C12,DRUG_3615
3616,3616,3616,3616,3616,3616,3616,3616,DB07595,"(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE",DrugBank,drug,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1,DRUG_3616
3617,3617,3617,3617,3617,3617,3617,3617,DB07394,AUROVERTIN B,DrugBank,drug,[H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O,DRUG_3617
3618,3618,3618,3618,3618,3618,3618,3618,DB08089,LGD-2226,DrugBank,drug,FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,DRUG_3618
3619,3619,3619,3619,3619,3619,3619,3619,DB07346,4-(2-aminoethyl)-2-ethylphenol,DrugBank,drug,CCC1=CC(CCN)=CC=C1O,DRUG_3619
3620,3620,3620,3620,3620,3620,3620,3620,DB13464,Ornipressin,DrugBank,drug,,DRUG_3620
3621,3621,3621,3621,3621,3621,3621,3621,DB09488,Acrivastine,DrugBank,drug,[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O,DRUG_3621
3622,3622,3622,3622,3622,3622,3622,3622,DB00308,Ibutilide,DrugBank,drug,CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,DRUG_3622
3623,3623,3623,3623,3623,3623,3623,3623,DB11986,Entrectinib,DrugBank,drug,CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1,DRUG_3623
3624,3624,3624,3624,3624,3624,3624,3624,DB12331,Labetuzumab govitecan,DrugBank,drug,,DRUG_3624
3625,3625,3625,3625,3625,3625,3625,3625,DB00934,Maprotiline,DrugBank,drug,CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,DRUG_3625
3626,3626,3626,3626,3626,3626,3626,3626,DB09223,Blonanserin,DrugBank,drug,CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1,DRUG_3626
3627,3627,3627,3627,3627,3627,3627,3627,DB07637,Dibromotyrosine,DrugBank,drug,[H][C@](N)(CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O,DRUG_3627
3628,3628,3628,3628,3628,3628,3628,3628,DB13365,Calcium lactate gluconate,DrugBank,drug,,DRUG_3628
3629,3629,3629,3629,3629,3629,3629,3629,DB01404,Ginseng,DrugBank,drug,,DRUG_3629
3630,3630,3630,3630,3630,3630,3630,3630,DB13683,Quinisocaine,DrugBank,drug,CCCCC1=CC2=CC=CC=C2C(OCCN(C)C)=N1,DRUG_3630
3631,3631,3631,3631,3631,3631,3631,3631,DB11745,Otenabant,DrugBank,drug,CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O,DRUG_3631
3632,3632,3632,3632,3632,3632,3632,3632,DB16849,Mivavotinib,DrugBank,drug,CN1C=C(C=N1)C1=C2C(=O)NCC2=C(F)C(N[C@@H]2CCCC[C@@H]2N)=N1,DRUG_3632
3633,3633,3633,3633,3633,3633,3633,3633,DB00604,Cisapride,DrugBank,drug,CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,DRUG_3633
3634,3634,3634,3634,3634,3634,3634,3634,DB12352,Bizelesin,DrugBank,drug,CC1=CNC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)C1=CC2=CC(NC(=O)NC3=CC=C4NC(=CC4=C3)C(=O)N3C[C@@H](CCl)C4=C5C(C)=CNC5=C(O)C=C34)=CC=C2N1,DRUG_3634
3635,3635,3635,3635,3635,3635,3635,3635,DB15385,Acebilustat,DrugBank,drug,OC(=O)C1=CC=C(CN2C[C@@H]3C[C@H]2CN3CC2=CC=C(OC3=CC=C(C=C3)C3=NC=CO3)C=C2)C=C1,DRUG_3635
3636,3636,3636,3636,3636,3636,3636,3636,DB00297,Bupivacaine,DrugBank,drug,CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,DRUG_3636
3637,3637,3637,3637,3637,3637,3637,3637,DB14946,PCO-371,DrugBank,drug,CC1=CC(=CC(C)=C1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)C1=CC=C(OC(F)(F)F)C=C1)N1C(=O)NC(=O)C1(C)C,DRUG_3637
3638,3638,3638,3638,3638,3638,3638,3638,DB06226,Nelipepimut-S,DrugBank,drug,,DRUG_3638
3639,3639,3639,3639,3639,3639,3639,3639,DB01946,Bisindolylmaleimide VIII,DrugBank,drug,CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2,DRUG_3639
3640,3640,3640,3640,3640,3640,3640,3640,DB13097,1alpha-Hydroxyvitamin D5,DrugBank,drug,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C(C)C,DRUG_3640
3641,3641,3641,3641,3641,3641,3641,3641,DB18817,Simufilam,DrugBank,drug,CN1CCC2(CC1)NCC(=O)N2CC1=CC=CC=C1,DRUG_3641
3642,3642,3642,3642,3642,3642,3642,3642,DB15348,Ampreloxetine,DrugBank,drug,FC1=CC(F)=C(OCC2=CC=CC=C2C2CCNCC2)C(F)=C1,DRUG_3642
3643,3643,3643,3643,3643,3643,3643,3643,DB07683,"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",DrugBank,drug,[H][C@](NS(=O)(=O)C1=CC2=C(C=C1)C1=CC=CC=C1S2)(C(C)C)C(O)=O,DRUG_3643
3644,3644,3644,3644,3644,3644,3644,3644,DB01298,Sulfacytine,DrugBank,drug,CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O,DRUG_3644
3645,3645,3645,3645,3645,3645,3645,3645,DB04661,cis-tetracosenoyl sulfatide,DrugBank,drug,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,DRUG_3645
3646,3646,3646,3646,3646,3646,3646,3646,DB00631,Clofarabine,DrugBank,drug,[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12,DRUG_3646
3647,3647,3647,3647,3647,3647,3647,3647,DB04956,Afelimomab,DrugBank,drug,,DRUG_3647
3648,3648,3648,3648,3648,3648,3648,3648,DB17056,Spiperone,DrugBank,drug,FC1=CC=C(C=C1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1,DRUG_3648
3649,3649,3649,3649,3649,3649,3649,3649,DB00585,Nizatidine,DrugBank,drug,CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O,DRUG_3649
3650,3650,3650,3650,3650,3650,3650,3650,DB00426,Famciclovir,DrugBank,drug,CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O,DRUG_3650
3651,3651,3651,3651,3651,3651,3651,3651,DB04866,Halofuginone,DrugBank,drug,[H][C@]1(O)CCCN[C@]1([H])CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O,DRUG_3651
3652,3652,3652,3652,3652,3652,3652,3652,DB13692,Tretoquinol,DrugBank,drug,COC1=CC(C[C@@H]2NCCC3=CC(O)=C(O)C=C23)=CC(OC)=C1OC,DRUG_3652
3653,3653,3653,3653,3653,3653,3653,3653,DB02893,D-Methionine,DrugBank,drug,CSCC[C@@H](N)C(O)=O,DRUG_3653
3654,3654,3654,3654,3654,3654,3654,3654,DB12815,Crotedumab,DrugBank,drug,,DRUG_3654
3655,3655,3655,3655,3655,3655,3655,3655,DB07655,"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",DrugBank,drug,OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3655
3656,3656,3656,3656,3656,3656,3656,3656,DB16331,Siremadlin,DrugBank,drug,COC1=NC(OC)=C(C=N1)C1=NC2=C([C@@H](N(C2=O)C2=CC(Cl)=CN(C)C2=O)C2=CC=C(Cl)C=C2)N1C(C)C,DRUG_3656
3657,3657,3657,3657,3657,3657,3657,3657,DB00648,Mitotane,DrugBank,drug,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,DRUG_3657
3658,3658,3658,3658,3658,3658,3658,3658,DB12180,Apitolisib,DrugBank,drug,C[C@H](O)C(=O)N1CCN(CC2=C(C)C3=NC(=NC(N4CCOCC4)=C3S2)C2=CN=C(N)N=C2)CC1,DRUG_3658
3659,3659,3659,3659,3659,3659,3659,3659,DB12225,Beclabuvir,DrugBank,drug,COC1=CC=C2C3=C(C4CCCCC4)C4=CC=C(C=C4N3C[C@]3(C[C@H]3C2=C1)C(=O)N1[C@H]2CC[C@@H]1CN(C)C2)C(=O)NS(=O)(=O)N(C)C,DRUG_3659
3660,3660,3660,3660,3660,3660,3660,3660,DB11416,Gamithromycin,DrugBank,drug,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)N(CCC)C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,DRUG_3660
3661,3661,3661,3661,3661,3661,3661,3661,DB05295,Eldecalcitol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O,DRUG_3661
3662,3662,3662,3662,3662,3662,3662,3662,DB05737,Varespladib methyl,DrugBank,drug,CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1,DRUG_3662
3663,3663,3663,3663,3663,3663,3663,3663,DB06836,"N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide",DrugBank,drug,[H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O,DRUG_3663
3664,3664,3664,3664,3664,3664,3664,3664,DB06932,"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine",DrugBank,drug,COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC,DRUG_3664
3665,3665,3665,3665,3665,3665,3665,3665,DB11352,Ascorbyl phosphate,DrugBank,drug,,DRUG_3665
3666,3666,3666,3666,3666,3666,3666,3666,DB00511,Acetyldigitoxin,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,DRUG_3666
3667,3667,3667,3667,3667,3667,3667,3667,DB05415,OSI-461,DrugBank,drug,,DRUG_3667
3668,3668,3668,3668,3668,3668,3668,3668,DB12812,Palomid 529,DrugBank,drug,COC1=CC=C(COC2=C(OC)C=C3C(OC(=O)C4=CC(=CC=C34)C(C)O)=C2)C=C1,DRUG_3668
3669,3669,3669,3669,3669,3669,3669,3669,DB07574,"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE",DrugBank,drug,[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS,DRUG_3669
3670,3670,3670,3670,3670,3670,3670,3670,DB01426,Ajmaline,DrugBank,drug,[H][C@]12C[C@]34[C@H](O)C1[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)C1=CC=CC=C41,DRUG_3670
3671,3671,3671,3671,3671,3671,3671,3671,DB03975,Mercuribenzoic Acid,DrugBank,drug,OC(=O)C1=CC=C([Hg])C=C1,DRUG_3671
3672,3672,3672,3672,3672,3672,3672,3672,DB11778,Danusertib,DrugBank,drug,CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)C1=CC=C(C=C1)N1CCN(C)CC1)=NN2)C1=CC=CC=C1,DRUG_3672
3673,3673,3673,3673,3673,3673,3673,3673,DB09357,Dexpanthenol,DrugBank,drug,CC(C)(CO)[C@@H](O)C(=O)NCCCO,DRUG_3673
3674,3674,3674,3674,3674,3674,3674,3674,DB00112,Bevacizumab,DrugBank,drug,,DRUG_3674
3675,3675,3675,3675,3675,3675,3675,3675,DB12385,10-hydroxycamptothecin,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=CC1=C3)C2=O,DRUG_3675
3676,3676,3676,3676,3676,3676,3676,3676,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",DrugBank,drug,CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,DRUG_3676
3677,3677,3677,3677,3677,3677,3677,3677,DB03476,Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine,DrugBank,drug,[H][C@]1(C[C@@]1([H])C1=CC2=CC=C(C=C2C=C1)C(N)=N)C1=CC=CC=C1,DRUG_3677
3678,3678,3678,3678,3678,3678,3678,3678,DB11586,Asunaprevir,DrugBank,drug,COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2,DRUG_3678
3679,3679,3679,3679,3679,3679,3679,3679,DB11611,Lifitegrast,DrugBank,drug,CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1,DRUG_3679
3680,3680,3680,3680,3680,3680,3680,3680,DB11987,GSK-2018682,DrugBank,drug,CC(C)OC1=C(Cl)C=C(C=N1)C1=NC(=NO1)C1=C2C=CN(CCCC(O)=O)C2=CC=C1,DRUG_3680
3681,3681,3681,3681,3681,3681,3681,3681,DB02311,Methyl Methylsulfinylmethyl Sulfide,DrugBank,drug,CSC[S@](C)=O,DRUG_3681
3682,3682,3682,3682,3682,3682,3682,3682,DB10394,Phleum pratense pollen,DrugBank,drug,,DRUG_3682
3683,3683,3683,3683,3683,3683,3683,3683,DB07906,"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL",DrugBank,drug,[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O,DRUG_3683
3684,3684,3684,3684,3684,3684,3684,3684,DB12243,Edaravone,DrugBank,drug,CC1=NN(C(=O)C1)C1=CC=CC=C1,DRUG_3684
3685,3685,3685,3685,3685,3685,3685,3685,DB13695,Penthienate,DrugBank,drug,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCC1)C1=CC=CS1,DRUG_3685
3686,3686,3686,3686,3686,3686,3686,3686,DB08562,4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID,DrugBank,drug,OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1,DRUG_3686
3687,3687,3687,3687,3687,3687,3687,3687,DB11609,Normethadone,DrugBank,drug,CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3687
3688,3688,3688,3688,3688,3688,3688,3688,DB01605,Pivmecillinam,DrugBank,drug,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1,DRUG_3688
3689,3689,3689,3689,3689,3689,3689,3689,DB12482,Acotiamide,DrugBank,drug,COC1=C(OC)C=C(C(=O)NC2=NC(=CS2)C(=O)NCCN(C(C)C)C(C)C)C(O)=C1,DRUG_3689
3690,3690,3690,3690,3690,3690,3690,3690,DB11603,"Rabies immune globulin, human",DrugBank,drug,,DRUG_3690
3691,3691,3691,3691,3691,3691,3691,3691,DB19198,Substance P,DrugBank,drug,,DRUG_3691
3692,3692,3692,3692,3692,3692,3692,3692,DB11477,Xylazine,DrugBank,drug,CC1=CC=CC(C)=C1NC1=NCCCS1,DRUG_3692
3693,3693,3693,3693,3693,3693,3693,3693,DB12681,Salirasib,DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1C(O)=O,DRUG_3693
3694,3694,3694,3694,3694,3694,3694,3694,DB09293,Iodide I-131,DrugBank,drug,[131I-],DRUG_3694
3695,3695,3695,3695,3695,3695,3695,3695,DB12829,Amithiozone,DrugBank,drug,CC(=O)NC1=CC=C(\C=N\NC(N)=S)C=C1,DRUG_3695
3696,3696,3696,3696,3696,3696,3696,3696,DB02018,Amido Phenyl Pyruvic Acid,DrugBank,drug,NC(=N)C1=CC=C(CC(=O)C(O)=O)C=C1,DRUG_3696
3697,3697,3697,3697,3697,3697,3697,3697,DB04861,Nebivolol,DrugBank,drug,OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2,DRUG_3697
3698,3698,3698,3698,3698,3698,3698,3698,DB01278,Pramlintide,DrugBank,drug,[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O,DRUG_3698
3699,3699,3699,3699,3699,3699,3699,3699,DB05540,Alanosine,DrugBank,drug,N[C@@H](CN(O)N=O)C(O)=O,DRUG_3699
3700,3700,3700,3700,3700,3700,3700,3700,DB08960,Hexamethonium,DrugBank,drug,C[N+](C)(C)CCCCCC[N+](C)(C)C,DRUG_3700
3701,3701,3701,3701,3701,3701,3701,3701,DB02224,Taxifolin,DrugBank,drug,O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC=C(O)C(O)=C1,DRUG_3701
3702,3702,3702,3702,3702,3702,3702,3702,DB03513,"(S)-2-Amino-3-(4h-Selenolo[3,2-B]-Pyrrol-6-Yl)-Propionic Acid",DrugBank,drug,[H][C@](N)(CC1=CNC2=C1[Se]C=C2)C(O)=O,DRUG_3702
3703,3703,3703,3703,3703,3703,3703,3703,DB05133,VP025,DrugBank,drug,,DRUG_3703
3704,3704,3704,3704,3704,3704,3704,3704,DB16261,Odevixibat,DrugBank,drug,CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C3=CC=C(O)C=C3)C=C2S(=O)(=O)N1,DRUG_3704
3705,3705,3705,3705,3705,3705,3705,3705,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",DrugBank,drug,[H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2,DRUG_3705
3706,3706,3706,3706,3706,3706,3706,3706,DB12863,Sivelestat,DrugBank,drug,CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC(O)=O,DRUG_3706
3707,3707,3707,3707,3707,3707,3707,3707,DB08182,"4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",DrugBank,drug,CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,DRUG_3707
3708,3708,3708,3708,3708,3708,3708,3708,DB02481,N-Benzylformamide,DrugBank,drug,O=CNCC1=CC=CC=C1,DRUG_3708
3709,3709,3709,3709,3709,3709,3709,3709,DB00008,Peginterferon alfa-2a,DrugBank,drug,,DRUG_3709
3710,3710,3710,3710,3710,3710,3710,3710,DB00371,Meprobamate,DrugBank,drug,CCCC(C)(COC(N)=O)COC(N)=O,DRUG_3710
3711,3711,3711,3711,3711,3711,3711,3711,DB06852,CHIR-124,DrugBank,drug,ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1,DRUG_3711
3712,3712,3712,3712,3712,3712,3712,3712,DB05930,SB-559448,DrugBank,drug,,DRUG_3712
3713,3713,3713,3713,3713,3713,3713,3713,DB09067,Corticorelin ovine triflutate,DrugBank,drug,,DRUG_3713
3714,3714,3714,3714,3714,3714,3714,3714,DB06188,Ispinesib,DrugBank,drug,CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C1=NC2=CC(Cl)=CC=C2C(=O)N1CC1=CC=CC=C1,DRUG_3714
3715,3715,3715,3715,3715,3715,3715,3715,DB03499,D-Malic acid,DrugBank,drug,O[C@H](CC(O)=O)C(O)=O,DRUG_3715
3716,3716,3716,3716,3716,3716,3716,3716,DB02697,Hydroxyaminovaline,DrugBank,drug,CC(C)[C@@H](N)C(=O)NO,DRUG_3716
3717,3717,3717,3717,3717,3717,3717,3717,DB02504,[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid,DrugBank,drug,CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1,DRUG_3717
3718,3718,3718,3718,3718,3718,3718,3718,DB01836,"[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone",DrugBank,drug,ClC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1,DRUG_3718
3719,3719,3719,3719,3719,3719,3719,3719,DB11552,Tricaine,DrugBank,drug,CCOC(=O)C1=CC(N)=CC=C1,DRUG_3719
3720,3720,3720,3720,3720,3720,3720,3720,DB14519,Aluminum cation,DrugBank,drug,[Al+3],DRUG_3720
3721,3721,3721,3721,3721,3721,3721,3721,DB07903,"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE",DrugBank,drug,CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,DRUG_3721
3722,3722,3722,3722,3722,3722,3722,3722,DB09088,Amylocaine,DrugBank,drug,CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1,DRUG_3722
3723,3723,3723,3723,3723,3723,3723,3723,DB08837,Tetraethylammonium,DrugBank,drug,CC[N+](CC)(CC)CC,DRUG_3723
3724,3724,3724,3724,3724,3724,3724,3724,DB12988,LY-518674,DrugBank,drug,CC1=CC=C(CN2N=C(CCCC3=CC=C(OC(C)(C)C(O)=O)C=C3)NC2=O)C=C1,DRUG_3724
3725,3725,3725,3725,3725,3725,3725,3725,DB06099,ISIS 325568,DrugBank,drug,,DRUG_3725
3726,3726,3726,3726,3726,3726,3726,3726,DB00867,Ritodrine,DrugBank,drug,C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1,DRUG_3726
3727,3727,3727,3727,3727,3727,3727,3727,DB01045,Rifampin,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=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)C(O)=C2C(O)=C3C,DRUG_3727
3728,3728,3728,3728,3728,3728,3728,3728,DB01084,Emedastine,DrugBank,drug,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1,DRUG_3728
3729,3729,3729,3729,3729,3729,3729,3729,DB01150,Cefprozil,DrugBank,drug,[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,DRUG_3729
3730,3730,3730,3730,3730,3730,3730,3730,DB11387,Chloroform,DrugBank,drug,ClC(Cl)Cl,DRUG_3730
3731,3731,3731,3731,3731,3731,3731,3731,DB02007,alpha-D-glucose 6-phosphate,DrugBank,drug,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,DRUG_3731
3732,3732,3732,3732,3732,3732,3732,3732,DB07821,"(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate",DrugBank,drug,[H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C,DRUG_3732
3733,3733,3733,3733,3733,3733,3733,3733,DB03854,Cadaverine,DrugBank,drug,NCCCCCN,DRUG_3733
3734,3734,3734,3734,3734,3734,3734,3734,DB01586,Ursodeoxycholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,DRUG_3734
3735,3735,3735,3735,3735,3735,3735,3735,DB02304,Prostaglandin B2,DrugBank,drug,CCCCC[C@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1,DRUG_3735
3736,3736,3736,3736,3736,3736,3736,3736,DB14484,Magnesium ascorbate,DrugBank,drug,[Mg++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,DRUG_3736
3737,3737,3737,3737,3737,3737,3737,3737,DB13926,Cenegermin,DrugBank,drug,,DRUG_3737
3738,3738,3738,3738,3738,3738,3738,3738,DB03346,"3,3',5,5'-tetrachlorobiphenyl-4,4'-diol",DrugBank,drug,OC1=C(Cl)C=C(C=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1,DRUG_3738
3739,3739,3739,3739,3739,3739,3739,3739,DB10534,Grapefruit,DrugBank,drug,,DRUG_3739
3740,3740,3740,3740,3740,3740,3740,3740,DB04335,Inosine,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,DRUG_3740
3741,3741,3741,3741,3741,3741,3741,3741,DB12965,Silver,DrugBank,drug,[Ag],DRUG_3741
3742,3742,3742,3742,3742,3742,3742,3742,DB09543,Methyl salicylate,DrugBank,drug,COC(=O)C1=CC=CC=C1O,DRUG_3742
3743,3743,3743,3743,3743,3743,3743,3743,DB13394,Adrenalone,DrugBank,drug,CNCC(=O)C1=CC(O)=C(O)C=C1,DRUG_3743
3744,3744,3744,3744,3744,3744,3744,3744,DB16258,Nirsevimab,DrugBank,drug,,DRUG_3744
3745,3745,3745,3745,3745,3745,3745,3745,DB01834,"(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",DrugBank,drug,[H][C@](N)(CCC(=O)N[C@@]([H])(CS[C@]1([H])C2=CC=CC=C2C2=CC=CC=C2[C@@]1([H])O)C(=O)NCC(O)=O)C(O)=O,DRUG_3745
3746,3746,3746,3746,3746,3746,3746,3746,DB02063,CRA_16847,DrugBank,drug,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(C2=NC3=C(N2)C=C(C=C3)C(N)=N)=C([O-])C(Br)=C1,DRUG_3746
3747,3747,3747,3747,3747,3747,3747,3747,DB00761,Potassium chloride,DrugBank,drug,[Cl-].[K+],DRUG_3747
3748,3748,3748,3748,3748,3748,3748,3748,DB01705,Bis(5-Amidino-Benzimidazolyl)Methane,DrugBank,drug,NC(=[NH2+])C1=CC2=C(C=C1)N=C(CC1=NC3=C(N1)C=C(C=C3)C([NH3+])=[NH2+])N2,DRUG_3748
3749,3749,3749,3749,3749,3749,3749,3749,DB13781,Xamoterol,DrugBank,drug,OC(CNCCNC(=O)N1CCOCC1)COC1=CC=C(O)C=C1,DRUG_3749
3750,3750,3750,3750,3750,3750,3750,3750,DB01226,Mivacurium,DrugBank,drug,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,DRUG_3750
3751,3751,3751,3751,3751,3751,3751,3751,DB14476,DL-alpha-Tocopherol,DrugBank,drug,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1,DRUG_3751
3752,3752,3752,3752,3752,3752,3752,3752,DB09498,Strontium chloride Sr-89,DrugBank,drug,[Cl-].[Cl-].[89Sr++],DRUG_3752
3753,3753,3753,3753,3753,3753,3753,3753,DB14718,Pyrazolam,DrugBank,drug,CC1=NN=C2CN=C(C3=CC=CC=N3)C3=C(C=CC(Br)=C3)N12,DRUG_3753
3754,3754,3754,3754,3754,3754,3754,3754,DB02991,S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea,DrugBank,drug,CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F,DRUG_3754
3755,3755,3755,3755,3755,3755,3755,3755,DB11507,Cloprostenol,DrugBank,drug,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)COC1=CC=CC(Cl)=C1,DRUG_3755
3756,3756,3756,3756,3756,3756,3756,3756,DB07190,3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,DRUG_3756
3757,3757,3757,3757,3757,3757,3757,3757,DB08608,"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE",DrugBank,drug,[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N,DRUG_3757
3758,3758,3758,3758,3758,3758,3758,3758,DB06770,Benzyl alcohol,DrugBank,drug,OCC1=CC=CC=C1,DRUG_3758
3759,3759,3759,3759,3759,3759,3759,3759,DB09250,Pheniprazine,DrugBank,drug,CC(CC1=CC=CC=C1)NN,DRUG_3759
3760,3760,3760,3760,3760,3760,3760,3760,DB09394,Phosphoric acid,DrugBank,drug,OP(O)(O)=O,DRUG_3760
3761,3761,3761,3761,3761,3761,3761,3761,DB07195,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DrugBank,drug,[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1,DRUG_3761
3762,3762,3762,3762,3762,3762,3762,3762,DB07659,AC-(D)PHE-PRO-BOROHOMOLYS-OH,DrugBank,drug,[H][C@@](CCCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,DRUG_3762
3763,3763,3763,3763,3763,3763,3763,3763,DB07313,5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID,DrugBank,drug,CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O,DRUG_3763
3764,3764,3764,3764,3764,3764,3764,3764,DB13311,Trepibutone,DrugBank,drug,CCOC1=CC(OCC)=C(OCC)C=C1C(=O)CCC(O)=O,DRUG_3764
3765,3765,3765,3765,3765,3765,3765,3765,DB12295,Evodenoson,DrugBank,drug,COC(=O)N1CCC(CC#CC2=NC(N)=C3N=CN([C@@H]4O[C@@H]([C@@H](O)[C@H]4O)C(=O)NC4CC4)C3=N2)CC1,DRUG_3765
3766,3766,3766,3766,3766,3766,3766,3766,DB01155,Gemifloxacin,DrugBank,drug,CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,DRUG_3766
3767,3767,3767,3767,3767,3767,3767,3767,DB06815,Pyrithione,DrugBank,drug,[O-][N+]1=C(S)C=CC=C1,DRUG_3767
3768,3768,3768,3768,3768,3768,3768,3768,DB07577,"2,4-Diamino-5-phenyl-6-ethylpyrimidine",DrugBank,drug,CCC1=C(C(N)=NC(N)=N1)C1=CC=CC=C1,DRUG_3768
3769,3769,3769,3769,3769,3769,3769,3769,DB01069,Promethazine,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C,DRUG_3769
3770,3770,3770,3770,3770,3770,3770,3770,DB16691,Nirmatrelvir,DrugBank,drug,[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C,DRUG_3770
3771,3771,3771,3771,3771,3771,3771,3771,DB09204,Arotinolol,DrugBank,drug,CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O,DRUG_3771
3772,3772,3772,3772,3772,3772,3772,3772,DB05223,Pracinostat,DrugBank,drug,CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC,DRUG_3772
3773,3773,3773,3773,3773,3773,3773,3773,DB09116,Calcium carbimide,DrugBank,drug,[Ca++].[N-]=C=[N-],DRUG_3773
3774,3774,3774,3774,3774,3774,3774,3774,DB14823,Balovaptan,DrugBank,drug,CN1CC2=NN=C([C@H]3CC[C@@H](CC3)OC3=NC=CC=C3)N2C2=CC=C(Cl)C=C2C1,DRUG_3774
3775,3775,3775,3775,3775,3775,3775,3775,DB02264,O2-Sulfo-Glucuronic Acid,DrugBank,drug,[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,DRUG_3775
3776,3776,3776,3776,3776,3776,3776,3776,DB03484,sn-glycero-3-phosphoethanolamine,DrugBank,drug,[H][C@](O)(CO)COP(O)(=O)OCCN,DRUG_3776
3777,3777,3777,3777,3777,3777,3777,3777,DB00501,Cimetidine,DrugBank,drug,CN\C(NCCSCC1=C(C)NC=N1)=N\C#N,DRUG_3777
3778,3778,3778,3778,3778,3778,3778,3778,DB01949,"2-Amino-N,3,3-Trimethylbutanamide",DrugBank,drug,CNC(=O)[C@@H](N)C(C)(C)C,DRUG_3778
3779,3779,3779,3779,3779,3779,3779,3779,DB08263,N-(carboxycarbonyl)-D-phenylalanine,DrugBank,drug,[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O,DRUG_3779
3780,3780,3780,3780,3780,3780,3780,3780,DB01236,Sevoflurane,DrugBank,drug,FCOC(C(F)(F)F)C(F)(F)F,DRUG_3780
3781,3781,3781,3781,3781,3781,3781,3781,DB01610,Valganciclovir,DrugBank,drug,CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O,DRUG_3781
3782,3782,3782,3782,3782,3782,3782,3782,DB08194,"4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine",DrugBank,drug,CC1=NC(N)=NC2=C1CSCC2,DRUG_3782
3783,3783,3783,3783,3783,3783,3783,3783,DB12361,Piclozotan,DrugBank,drug,ClC1=COC2=CC=CC=C2C(=O)N1CCCCN1CCC(=CC1)C1=CC=CC=N1,DRUG_3783
3784,3784,3784,3784,3784,3784,3784,3784,DB05838,OPC-51803,DrugBank,drug,CC(C)NC(=O)C[C@H]1CCCN(C(=O)C2=C(Cl)C=C(C=C2)N2CCCC2)C2=CC=CC=C12,DRUG_3784
3785,3785,3785,3785,3785,3785,3785,3785,DB08907,Canagliflozin,DrugBank,drug,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1,DRUG_3785
3786,3786,3786,3786,3786,3786,3786,3786,DB00440,Trimethoprim,DrugBank,drug,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC,DRUG_3786
3787,3787,3787,3787,3787,3787,3787,3787,DB08860,Pitavastatin,DrugBank,drug,O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O,DRUG_3787
3788,3788,3788,3788,3788,3788,3788,3788,DB01466,Ethylmorphine,DrugBank,drug,[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,DRUG_3788
3789,3789,3789,3789,3789,3789,3789,3789,DB01163,Amdinocillin,DrugBank,drug,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1,DRUG_3789
3790,3790,3790,3790,3790,3790,3790,3790,DB07848,5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide,DrugBank,drug,C[C@H](N1CC[C@H](NS(=O)(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,DRUG_3790
3791,3791,3791,3791,3791,3791,3791,3791,DB03504,"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine",DrugBank,drug,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12,DRUG_3791
3792,3792,3792,3792,3792,3792,3792,3792,DB11230,Magnesium Aluminum Silicate,DrugBank,drug,,DRUG_3792
3793,3793,3793,3793,3793,3793,3793,3793,DB02309,5-monophosphate-9-beta-D-ribofuranosyl xanthine,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O,DRUG_3793
3794,3794,3794,3794,3794,3794,3794,3794,DB07676,"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one",DrugBank,drug,OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O,DRUG_3794
3795,3795,3795,3795,3795,3795,3795,3795,DB05941,Leronlimab,DrugBank,drug,,DRUG_3795
3796,3796,3796,3796,3796,3796,3796,3796,DB04150,"N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine",DrugBank,drug,[H]N([C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)N([H])[C@H]([C@@H](C)O)C(O)=O)C(C)=O,DRUG_3796
3797,3797,3797,3797,3797,3797,3797,3797,DB12319,Benzbromarone,DrugBank,drug,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1,DRUG_3797
3798,3798,3798,3798,3798,3798,3798,3798,DB11059,Carboxymethylcellulose,DrugBank,drug,,DRUG_3798
3799,3799,3799,3799,3799,3799,3799,3799,DB00346,Alfuzosin,DrugBank,drug,COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1,DRUG_3799
3800,3800,3800,3800,3800,3800,3800,3800,DB06579,Adipiplon,DrugBank,drug,CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12,DRUG_3800
3801,3801,3801,3801,3801,3801,3801,3801,DB12247,AZD-4547,DrugBank,drug,COC1=CC(OC)=CC(CCC2=CC(NC(=O)C3=CC=C(C=C3)N3C[C@H](C)N[C@H](C)C3)=NN2)=C1,DRUG_3801
3802,3802,3802,3802,3802,3802,3802,3802,DB03370,FR239087,DrugBank,drug,[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O,DRUG_3802
3803,3803,3803,3803,3803,3803,3803,3803,DB04115,Berberine,DrugBank,drug,COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC,DRUG_3803
3804,3804,3804,3804,3804,3804,3804,3804,DB11791,Capmatinib,DrugBank,drug,CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1,DRUG_3804
3805,3805,3805,3805,3805,3805,3805,3805,DB04249,Zinc Substituted Heme C,DrugBank,drug,[Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O,DRUG_3805
3806,3806,3806,3806,3806,3806,3806,3806,DB08691,"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate",DrugBank,drug,CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2,DRUG_3806
3807,3807,3807,3807,3807,3807,3807,3807,DB00365,Grepafloxacin,DrugBank,drug,CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O,DRUG_3807
3808,3808,3808,3808,3808,3808,3808,3808,DB16630,OPB-111077,DrugBank,drug,,DRUG_3808
3809,3809,3809,3809,3809,3809,3809,3809,DB13381,Sodium feredetate,DrugBank,drug,[Na+].[O-]C(=O)C[N+]12CC[N+]34CC(=O)O[Fe--]13(OC(=O)C2)OC(=O)C4,DRUG_3809
3810,3810,3810,3810,3810,3810,3810,3810,DB07321,"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE",DrugBank,drug,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1,DRUG_3810
3811,3811,3811,3811,3811,3811,3811,3811,DB06218,Lacosamide,DrugBank,drug,COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1,DRUG_3811
3812,3812,3812,3812,3812,3812,3812,3812,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",DrugBank,drug,CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2N,DRUG_3812
3813,3813,3813,3813,3813,3813,3813,3813,DB16265,Olinvacimab,DrugBank,drug,,DRUG_3813
3814,3814,3814,3814,3814,3814,3814,3814,DB03218,N-acetyl-N'-beta-D-glucopyranosyl urea,DrugBank,drug,CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_3814
3815,3815,3815,3815,3815,3815,3815,3815,DB04941,Crofelemer,DrugBank,drug,,DRUG_3815
3816,3816,3816,3816,3816,3816,3816,3816,DB13934,Ligandrol,DrugBank,drug,O[C@H]([C@H]1CCCN1C1=CC=C(C#N)C(=C1)C(F)(F)F)C(F)(F)F,DRUG_3816
3817,3817,3817,3817,3817,3817,3817,3817,DB02087,"3,5-Difluorobenzenesulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC(F)=CC(F)=C1,DRUG_3817
3818,3818,3818,3818,3818,3818,3818,3818,DB04758,2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE),DrugBank,drug,CCS(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_3818
3819,3819,3819,3819,3819,3819,3819,3819,DB19205,MAK-683,DrugBank,drug,CC1=NC=CC=C1C1=CN=C(NCC2=C3CCOC3=CC=C2F)N2C=NN=C12,DRUG_3819
3820,3820,3820,3820,3820,3820,3820,3820,DB12222,Lurtotecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C4OCCOC4=CC1=C3CN1CCN(C)CC1)C2=O,DRUG_3820
3821,3821,3821,3821,3821,3821,3821,3821,DB07193,"(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine",DrugBank,drug,[H][C@]1(N)CN2C(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)=NC1=CC(=CC=C21)S(C)(=O)=O,DRUG_3821
3822,3822,3822,3822,3822,3822,3822,3822,DB03642,N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide,DrugBank,drug,CC(C)C[C@H](NC(=O)C1=CC2=C(O1)C=CC=C2)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C1=CC=CC=N1,DRUG_3822
3823,3823,3823,3823,3823,3823,3823,3823,DB04855,Dronedarone,DrugBank,drug,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2,DRUG_3823
3824,3824,3824,3824,3824,3824,3824,3824,DB15213,25-desacetylrifapentine,DrugBank,drug,CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(CC4)C4CCCC4)=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](O)[C@@H]1C)C(O)=C2C(O)=C3C,DRUG_3824
3825,3825,3825,3825,3825,3825,3825,3825,DB00324,Fluorometholone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,DRUG_3825
3826,3826,3826,3826,3826,3826,3826,3826,DB04873,Piboserod,DrugBank,drug,CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1,DRUG_3826
3827,3827,3827,3827,3827,3827,3827,3827,DB00571,Propranolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC2=C1C=CC=C2,DRUG_3827
3828,3828,3828,3828,3828,3828,3828,3828,DB05466,R673,DrugBank,drug,,DRUG_3828
3829,3829,3829,3829,3829,3829,3829,3829,DB00570,Vinblastine,DrugBank,drug,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,DRUG_3829
3830,3830,3830,3830,3830,3830,3830,3830,DB13647,Semustine,DrugBank,drug,,DRUG_3830
3831,3831,3831,3831,3831,3831,3831,3831,DB05476,WX-UK1,DrugBank,drug,Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C,DRUG_3831
3832,3832,3832,3832,3832,3832,3832,3832,DB04785,Streptolydigin,DrugBank,drug,[H][C@@]1([C@H](C)C(=O)NC)N([C@@H]2CC[C@H](O)[C@H](C)O2)C(=O)\C(=C(\O)/C=C/C(/C)=C/[C@@H](C)[C@@]2([H])O[C@@]3(C)O[C@H](C=C[C@@]33CO3)[C@@H]2C)C1=O,DRUG_3832
3833,3833,3833,3833,3833,3833,3833,3833,DB01738,Phosphorylcolamine,DrugBank,drug,NCCOP(O)(O)=O,DRUG_3833
3834,3834,3834,3834,3834,3834,3834,3834,DB14011,Nabiximols,DrugBank,drug,[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C,DRUG_3834
3835,3835,3835,3835,3835,3835,3835,3835,DB05405,XTL-001,DrugBank,drug,,DRUG_3835
3836,3836,3836,3836,3836,3836,3836,3836,DB07270,"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE",DrugBank,drug,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CC(N)=CC=C1,DRUG_3836
3837,3837,3837,3837,3837,3837,3837,3837,DB11929,Vaniprevir,DrugBank,drug,[H][C@]1(C[C@@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)(C)CCCCC1=C3CN(CC3=CC=C1)C(=O)O2)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1CC)C(=O)NS(=O)(=O)C1CC1,DRUG_3837
3838,3838,3838,3838,3838,3838,3838,3838,DB12105,Imagabalin,DrugBank,drug,CCC[C@@H](C)C[C@H](N)CC(O)=O,DRUG_3838
3839,3839,3839,3839,3839,3839,3839,3839,DB06584,TG4010,DrugBank,drug,,DRUG_3839
3840,3840,3840,3840,3840,3840,3840,3840,DB01408,Bambuterol,DrugBank,drug,CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C,DRUG_3840
3841,3841,3841,3841,3841,3841,3841,3841,DB12206,N-6022,DrugBank,drug,CC1=CC(=CC=C1N1C(CCC(O)=O)=CC=C1C1=CC=C(C=C1)N1C=CN=C1)C(N)=O,DRUG_3841
3842,3842,3842,3842,3842,3842,3842,3842,DB14672,Oxazepam acetate,DrugBank,drug,CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O,DRUG_3842
3843,3843,3843,3843,3843,3843,3843,3843,DB00901,Bitolterol,DrugBank,drug,CC1=CC=C(C=C1)C(=O)OC1=C(OC(=O)C2=CC=C(C)C=C2)C=C(C=C1)C(O)CNC(C)(C)C,DRUG_3843
3844,3844,3844,3844,3844,3844,3844,3844,DB07395,"4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid",DrugBank,drug,OC(=O)C1=CC=C(NC(=O)NC(=O)C2=CC(F)=C(F)C=C2Cl)C(OC(F)(F)F)=C1,DRUG_3844
3845,3845,3845,3845,3845,3845,3845,3845,DB05194,KB002,DrugBank,drug,,DRUG_3845
3846,3846,3846,3846,3846,3846,3846,3846,DB15160,Asunercept,DrugBank,drug,,DRUG_3846
3847,3847,3847,3847,3847,3847,3847,3847,DB05471,SGN-30,DrugBank,drug,,DRUG_3847
3848,3848,3848,3848,3848,3848,3848,3848,DB01250,Olsalazine,DrugBank,drug,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O,DRUG_3848
3849,3849,3849,3849,3849,3849,3849,3849,DB09121,Aurothioglucose,DrugBank,drug,OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,DRUG_3849
3850,3850,3850,3850,3850,3850,3850,3850,DB08595,"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DrugBank,drug,[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1,DRUG_3850
3851,3851,3851,3851,3851,3851,3851,3851,DB08340,"N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE",DrugBank,drug,N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1,DRUG_3851
3852,3852,3852,3852,3852,3852,3852,3852,DB09078,Lenvatinib,DrugBank,drug,COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O,DRUG_3852
3853,3853,3853,3853,3853,3853,3853,3853,DB17283,Chrysoeriol,DrugBank,drug,COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,DRUG_3853
3854,3854,3854,3854,3854,3854,3854,3854,DB15617,Ferric derisomaltose,DrugBank,drug,[Fe+3].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,DRUG_3854
3855,3855,3855,3855,3855,3855,3855,3855,DB05266,Ibudilast,DrugBank,drug,CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C,DRUG_3855
3856,3856,3856,3856,3856,3856,3856,3856,DB11564,Insulin argine,DrugBank,drug,,DRUG_3856
3857,3857,3857,3857,3857,3857,3857,3857,DB11769,Funapide,DrugBank,drug,FC(F)(F)C1=CC=C(CN2C(=O)[C@@]3(COC4=C3C=C3OCOC3=C4)C3=CC=CC=C23)O1,DRUG_3857
3858,3858,3858,3858,3858,3858,3858,3858,DB03041,UDP-alpha-D-glucuronic acid,DrugBank,drug,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,DRUG_3858
3859,3859,3859,3859,3859,3859,3859,3859,DB03645,Phosphonoacetohydroxamic Acid,DrugBank,drug,ONC(=O)CP(O)(O)=O,DRUG_3859
3860,3860,3860,3860,3860,3860,3860,3860,DB00483,Gallamine triethiodide,DrugBank,drug,[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC,DRUG_3860
3861,3861,3861,3861,3861,3861,3861,3861,DB10583,Clostridium tetani toxoid antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_3861
3862,3862,3862,3862,3862,3862,3862,3862,DB05673,NV-52,DrugBank,drug,,DRUG_3862
3863,3863,3863,3863,3863,3863,3863,3863,DB00266,Dicoumarol,DrugBank,drug,OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2,DRUG_3863
3864,3864,3864,3864,3864,3864,3864,3864,DB13125,Lusutrombopag,DrugBank,drug,CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1,DRUG_3864
3865,3865,3865,3865,3865,3865,3865,3865,DB08371,p-Benzoyl-L-phenylalanine,DrugBank,drug,N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O,DRUG_3865
3866,3866,3866,3866,3866,3866,3866,3866,DB04808,Neamine,DrugBank,drug,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,DRUG_3866
3867,3867,3867,3867,3867,3867,3867,3867,DB00880,Chlorothiazide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1,DRUG_3867
3868,3868,3868,3868,3868,3868,3868,3868,DB06199,Atrasentan,DrugBank,drug,CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1,DRUG_3868
3869,3869,3869,3869,3869,3869,3869,3869,DB00264,Metoprolol,DrugBank,drug,COCCC1=CC=C(OCC(O)CNC(C)C)C=C1,DRUG_3869
3870,3870,3870,3870,3870,3870,3870,3870,DB07237,{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone,DrugBank,drug,[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1,DRUG_3870
3871,3871,3871,3871,3871,3871,3871,3871,DB07303,"N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE",DrugBank,drug,COC1=CN=CC(=C1)C1=CC(CNC2=CC=CN=C2N)=CC=C1,DRUG_3871
3872,3872,3872,3872,3872,3872,3872,3872,DB05429,Bertilimumab,DrugBank,drug,,DRUG_3872
3873,3873,3873,3873,3873,3873,3873,3873,DB07783,1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE,DrugBank,drug,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,DRUG_3873
3874,3874,3874,3874,3874,3874,3874,3874,DB13750,Obidoxime,DrugBank,drug,O\N=C\C1=CC=[N+](COC[N+]2=CC=C(\C=N\O)C=C2)C=C1,DRUG_3874
3875,3875,3875,3875,3875,3875,3875,3875,DB06255,Incadronic acid,DrugBank,drug,OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O,DRUG_3875
3876,3876,3876,3876,3876,3876,3876,3876,DB03044,Doramapimod,DrugBank,drug,CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C,DRUG_3876
3877,3877,3877,3877,3877,3877,3877,3877,DB02795,P-Anisic Acid,DrugBank,drug,COC1=CC=C(C=C1)C(O)=O,DRUG_3877
3878,3878,3878,3878,3878,3878,3878,3878,DB00742,Mannitol,DrugBank,drug,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_3878
3879,3879,3879,3879,3879,3879,3879,3879,DB00779,Nalidixic acid,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2,DRUG_3879
3880,3880,3880,3880,3880,3880,3880,3880,DB11426,Marbofloxacin,DrugBank,drug,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3N(C)COC1=C23)C(O)=O,DRUG_3880
3881,3881,3881,3881,3881,3881,3881,3881,DB01589,Quazepam,DrugBank,drug,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2,DRUG_3881
3882,3882,3882,3882,3882,3882,3882,3882,DB05687,BL-1020,DrugBank,drug,,DRUG_3882
3883,3883,3883,3883,3883,3883,3883,3883,DB11521,Imidocarb,DrugBank,drug,O=C(NC1=CC=CC(=C1)C1=NCCN1)NC1=CC=CC(=C1)C1=NCCN1,DRUG_3883
3884,3884,3884,3884,3884,3884,3884,3884,DB01176,Cyclizine,DrugBank,drug,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3884
3885,3885,3885,3885,3885,3885,3885,3885,DB09371,Norethynodrel,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3,DRUG_3885
3886,3886,3886,3886,3886,3886,3886,3886,DB05319,Oportuzumab monatox,DrugBank,drug,,DRUG_3886
3887,3887,3887,3887,3887,3887,3887,3887,DB07412,1-biphenyl-2-ylmethanamine,DrugBank,drug,NCC1=C(C=CC=C1)C1=CC=CC=C1,DRUG_3887
3888,3888,3888,3888,3888,3888,3888,3888,DB04576,Fleroxacin,DrugBank,drug,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O,DRUG_3888
3889,3889,3889,3889,3889,3889,3889,3889,DB09270,Ubidecarenone,DrugBank,drug,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,DRUG_3889
3890,3890,3890,3890,3890,3890,3890,3890,DB11841,Entinostat,DrugBank,drug,NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1,DRUG_3890
3891,3891,3891,3891,3891,3891,3891,3891,DB02118,CP-271485,DrugBank,drug,[H][C@@]1(CN(CC2=CC=CC=C2)C(=O)CO1)C1=CC2=C(C=C1)N(C)S(=O)(=O)C2,DRUG_3891
3892,3892,3892,3892,3892,3892,3892,3892,DB00212,Remikiren,DrugBank,drug,CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,DRUG_3892
3893,3893,3893,3893,3893,3893,3893,3893,DB04432,ZK-805623,DrugBank,drug,CC1=C(F)C(OC2=CC(=CC=C2)C(N)=N)=[NH+]C(OC2=CC=CC(=C2)C(N)=N)=C1F,DRUG_3893
3894,3894,3894,3894,3894,3894,3894,3894,DB13451,Tioclomarol,DrugBank,drug,OC(CC(C1=CC=C(Cl)S1)C1=C(O)C2=CC=CC=C2OC1=O)C1=CC=C(Cl)C=C1,DRUG_3894
3895,3895,3895,3895,3895,3895,3895,3895,DB14520,Tetraferric tricitrate decahydrate,DrugBank,drug,O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[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,DRUG_3895
3896,3896,3896,3896,3896,3896,3896,3896,DB07050,"5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide",DrugBank,drug,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2=CC=CC=C2)S1,DRUG_3896
3897,3897,3897,3897,3897,3897,3897,3897,DB02853,D-Proline,DrugBank,drug,OC(=O)[C@H]1CCCN1,DRUG_3897
3898,3898,3898,3898,3898,3898,3898,3898,DB05595,Farletuzumab,DrugBank,drug,,DRUG_3898
3899,3899,3899,3899,3899,3899,3899,3899,DB08173,5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE,DrugBank,drug,ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O,DRUG_3899
3900,3900,3900,3900,3900,3900,3900,3900,DB12199,TRV-120027,DrugBank,drug,[H][C@](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(O)=O,DRUG_3900
3901,3901,3901,3901,3901,3901,3901,3901,DB03316,"1,4-Dioxane",DrugBank,drug,C1COCCO1,DRUG_3901
3902,3902,3902,3902,3902,3902,3902,3902,DB06150,Sulfadimethoxine,DrugBank,drug,COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1,DRUG_3902
3903,3903,3903,3903,3903,3903,3903,3903,DB08883,Perampanel,DrugBank,drug,O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1,DRUG_3903
3904,3904,3904,3904,3904,3904,3904,3904,DB15076,Abrilumab,DrugBank,drug,,DRUG_3904
3905,3905,3905,3905,3905,3905,3905,3905,DB03260,Hexamethylene diamine,DrugBank,drug,NCCCCCCN,DRUG_3905
3906,3906,3906,3906,3906,3906,3906,3906,DB00414,Acetohexamide,DrugBank,drug,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,DRUG_3906
3907,3907,3907,3907,3907,3907,3907,3907,DB16742,RP-67580,DrugBank,drug,,DRUG_3907
3908,3908,3908,3908,3908,3908,3908,3908,DB13316,Ibopamine,DrugBank,drug,CNCCC1=CC(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C1,DRUG_3908
3909,3909,3909,3909,3909,3909,3909,3909,DB03189,Cu-Cyclam,DrugBank,drug,[Cu].C1CNCCNCCCNCCNC1,DRUG_3909
3910,3910,3910,3910,3910,3910,3910,3910,DB13239,Neltenexine,DrugBank,drug,O[C@H]1CC[C@@H](CC1)NCC1=CC(Br)=CC(Br)=C1NC(=O)C1=CC=CS1,DRUG_3910
3911,3911,3911,3911,3911,3911,3911,3911,DB04400,"L-erythro-7,8-dihydrobiopterin",DrugBank,drug,C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O,DRUG_3911
3912,3912,3912,3912,3912,3912,3912,3912,DB14546,Sulfate ion,DrugBank,drug,[O-]S([O-])(=O)=O,DRUG_3912
3913,3913,3913,3913,3913,3913,3913,3913,DB09202,Cirazoline,DrugBank,drug,[H]N1CCN=C1COC1=CC=CC=C1C1CC1,DRUG_3913
3914,3914,3914,3914,3914,3914,3914,3914,DB08239,"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",DrugBank,drug,[H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1,DRUG_3914
3915,3915,3915,3915,3915,3915,3915,3915,DB12945,Dihydralazine,DrugBank,drug,NNC1=C2C=CC=CC2=C(NN)N=N1,DRUG_3915
3916,3916,3916,3916,3916,3916,3916,3916,DB11828,Neratinib,DrugBank,drug,CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N,DRUG_3916
3917,3917,3917,3917,3917,3917,3917,3917,DB08659,2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide,DrugBank,drug,NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1,DRUG_3917
3918,3918,3918,3918,3918,3918,3918,3918,DB07831,"2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE",DrugBank,drug,CCCC1=CC=C(NC(=O)C2=CC=CC=C2NCC2=CNC(=O)C=C2)C=C1C(F)(F)F,DRUG_3918
3919,3919,3919,3919,3919,3919,3919,3919,DB07776,Flavone,DrugBank,drug,O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1,DRUG_3919
3920,3920,3920,3920,3920,3920,3920,3920,DB00505,Tridihexethyl,DrugBank,drug,CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1,DRUG_3920
3921,3921,3921,3921,3921,3921,3921,3921,DB13413,Phenglutarimide,DrugBank,drug,CCN(CC)CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,DRUG_3921
3922,3922,3922,3922,3922,3922,3922,3922,DB02435,Aminomethylcyclohexane,DrugBank,drug,[NH3+]CC1CCCCC1,DRUG_3922
3923,3923,3923,3923,3923,3923,3923,3923,DB07297,"5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE",DrugBank,drug,C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,DRUG_3923
3924,3924,3924,3924,3924,3924,3924,3924,DB06833,1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE,DrugBank,drug,CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12,DRUG_3924
3925,3925,3925,3925,3925,3925,3925,3925,DB13976,Sulesomab,DrugBank,drug,,DRUG_3925
3926,3926,3926,3926,3926,3926,3926,3926,DB03707,S-Ethyl-N-Phenyl-Isothiourea,DrugBank,drug,CCS\C(N)=N\C1=CC=CC=C1,DRUG_3926
3927,3927,3927,3927,3927,3927,3927,3927,DB07107,(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE,DrugBank,drug,[H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2,DRUG_3927
3928,3928,3928,3928,3928,3928,3928,3928,DB06850,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CNC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_3928
3929,3929,3929,3929,3929,3929,3929,3929,DB13522,Mebicar,DrugBank,drug,CN1[C@H]2[C@@H](N(C)C1=O)N(C)C(=O)N2C,DRUG_3929
3930,3930,3930,3930,3930,3930,3930,3930,DB08341,"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide",DrugBank,drug,[H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F,DRUG_3930
3931,3931,3931,3931,3931,3931,3931,3931,DB00650,Leucovorin,DrugBank,drug,[H]C(=O)N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,DRUG_3931
3932,3932,3932,3932,3932,3932,3932,3932,DB16698,Neihulizumab,DrugBank,drug,,DRUG_3932
3933,3933,3933,3933,3933,3933,3933,3933,DB15685,Selpercatinib,DrugBank,drug,COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1,DRUG_3933
3934,3934,3934,3934,3934,3934,3934,3934,DB17034,Dacinostat,DrugBank,drug,OCCN(CCC1=CNC2=CC=CC=C12)CC1=CC=C(\C=C\C(=O)NO)C=C1,DRUG_3934
3935,3935,3935,3935,3935,3935,3935,3935,DB11925,Vistusertib,DrugBank,drug,CNC(=O)C1=CC(=CC=C1)C1=CC=C2C(N=C(N=C2N2CCOC[C@@H]2C)N2CCOC[C@@H]2C)=N1,DRUG_3935
3936,3936,3936,3936,3936,3936,3936,3936,DB04705,25-Hydroxycholesterol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O,DRUG_3936
3937,3937,3937,3937,3937,3937,3937,3937,DB04674,"2-HYDROXY-3,5-DIIODOBENZOIC ACID",DrugBank,drug,OC(=O)C1=C(O)C(I)=CC(I)=C1,DRUG_3937
3938,3938,3938,3938,3938,3938,3938,3938,DB06347,Cenisertib,DrugBank,drug,[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NC1=C(F)C=NC(NC2=CC=C(N3CCN(C)CC3)C(C)=C2)=N1)C(N)=O,DRUG_3938
3939,3939,3939,3939,3939,3939,3939,3939,DB01269,Panitumumab,DrugBank,drug,,DRUG_3939
3940,3940,3940,3940,3940,3940,3940,3940,DB09013,Befunolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC2=C1OC(=C2)C(C)=O,DRUG_3940
3941,3941,3941,3941,3941,3941,3941,3941,DB01431,Allylestrenol,DrugBank,drug,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],DRUG_3941
3942,3942,3942,3942,3942,3942,3942,3942,DB02696,"6-Aminohexyl-uridine-C1,5'-diphosphate",DrugBank,drug,[H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O,DRUG_3942
3943,3943,3943,3943,3943,3943,3943,3943,DB02830,FR236913,DrugBank,drug,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,DRUG_3943
3944,3944,3944,3944,3944,3944,3944,3944,DB06901,2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL,DrugBank,drug,[H][C@](CC=C)(C=O)[C@@]1([H])CCC[C@]1([H])O,DRUG_3944
3945,3945,3945,3945,3945,3945,3945,3945,DB05337,SOT-107,DrugBank,drug,,DRUG_3945
3946,3946,3946,3946,3946,3946,3946,3946,DB14207,Fosinoprilat,DrugBank,drug,[H][C@]1(C[C@H](N(C1)C(=O)CP(O)(=O)CCCCC1=CC=CC=C1)C(O)=O)C1CCCCC1,DRUG_3946
3947,3947,3947,3947,3947,3947,3947,3947,DB05750,Drinabant,DrugBank,drug,,DRUG_3947
3948,3948,3948,3948,3948,3948,3948,3948,DB10395,Holcus lanatus pollen,DrugBank,drug,,DRUG_3948
3949,3949,3949,3949,3949,3949,3949,3949,DB06902,p-Cumylphenol,DrugBank,drug,CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1,DRUG_3949
3950,3950,3950,3950,3950,3950,3950,3950,DB03800,Deoxyuridine monophosphate,DrugBank,drug,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_3950
3951,3951,3951,3951,3951,3951,3951,3951,DB01021,Trichlormethiazide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl,DRUG_3951
3952,3952,3952,3952,3952,3952,3952,3952,DB15217,Gastric inhibitory polypeptide,DrugBank,drug,,DRUG_3952
3953,3953,3953,3953,3953,3953,3953,3953,DB03841,Niraxostat,DrugBank,drug,CC(C)(C)COC1=C(C=C(C=C1)N1C=C(C=N1)C(O)=O)C#N,DRUG_3953
3954,3954,3954,3954,3954,3954,3954,3954,DB12411,Bemcentinib,DrugBank,drug,NC1=NC(NC2=CC=C3CC[C@@H](CCC3=C2)N2CCCC2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2,DRUG_3954
3955,3955,3955,3955,3955,3955,3955,3955,DB19094,Dimepheptanol,DrugBank,drug,CCC(O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3955
3956,3956,3956,3956,3956,3956,3956,3956,DB09228,Conestat alfa,DrugBank,drug,,DRUG_3956
3957,3957,3957,3957,3957,3957,3957,3957,DB09460,Sodium carbonate,DrugBank,drug,[Na+].[Na+].[O-]C([O-])=O,DRUG_3957
3958,3958,3958,3958,3958,3958,3958,3958,DB01231,Diphenidol,DrugBank,drug,OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_3958
3959,3959,3959,3959,3959,3959,3959,3959,DB07810,Phloretin,DrugBank,drug,OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1,DRUG_3959
3960,3960,3960,3960,3960,3960,3960,3960,DB05305,Cintredekin besudotox,DrugBank,drug,,DRUG_3960
3961,3961,3961,3961,3961,3961,3961,3961,DB04544,1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide,DrugBank,drug,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(C)=O,DRUG_3961
3962,3962,3962,3962,3962,3962,3962,3962,DB04165,Valpromide,DrugBank,drug,CCCC(CCC)C(N)=O,DRUG_3962
3963,3963,3963,3963,3963,3963,3963,3963,DB15771,AUNP-12,DrugBank,drug,,DRUG_3963
3964,3964,3964,3964,3964,3964,3964,3964,DB11839,PZ-128,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,DRUG_3964
3965,3965,3965,3965,3965,3965,3965,3965,DB08178,"4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",DrugBank,drug,COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,DRUG_3965
3966,3966,3966,3966,3966,3966,3966,3966,DB12005,Nirogacestat,DrugBank,drug,CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C,DRUG_3966
3967,3967,3967,3967,3967,3967,3967,3967,DB00182,Amphetamine,DrugBank,drug,CC(N)CC1=CC=CC=C1,DRUG_3967
3968,3968,3968,3968,3968,3968,3968,3968,DB06971,"N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA",DrugBank,drug,CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO,DRUG_3968
3969,3969,3969,3969,3969,3969,3969,3969,DB08174,"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE",DrugBank,drug,[H][C@]1(CCC[C@]1([H])NC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O)NC(=O)C1=CC=C(Cl)S1,DRUG_3969
3970,3970,3970,3970,3970,3970,3970,3970,DB00700,Eplerenone,DrugBank,drug,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC,DRUG_3970
3971,3971,3971,3971,3971,3971,3971,3971,DB02967,N-Ethylmaleimide,DrugBank,drug,CCN1C(=O)C=CC1=O,DRUG_3971
3972,3972,3972,3972,3972,3972,3972,3972,DB12975,Pyronaridine,DrugBank,drug,COC1=NC2=C(NC3=CC(CN4CCCC4)=C(O)C(CN4CCCC4)=C3)C3=CC=C(Cl)C=C3N=C2C=C1,DRUG_3972
3973,3973,3973,3973,3973,3973,3973,3973,DB14865,Human interleukin-2,DrugBank,drug,,DRUG_3973
3974,3974,3974,3974,3974,3974,3974,3974,DB12192,Emeramide,DrugBank,drug,SCCNC(=O)C1=CC(=CC=C1)C(=O)NCCS,DRUG_3974
3975,3975,3975,3975,3975,3975,3975,3975,DB12329,Eravacycline,DrugBank,drug,[H][C@@]12CC3=C(F)C=C(NC(=O)CN4CCCC4)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,DRUG_3975
3976,3976,3976,3976,3976,3976,3976,3976,DB04336,1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea,DrugBank,drug,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1,DRUG_3976
3977,3977,3977,3977,3977,3977,3977,3977,DB01951,Gpi-1046,DrugBank,drug,[H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1,DRUG_3977
3978,3978,3978,3978,3978,3978,3978,3978,DB14822,SB-649868,DrugBank,drug,CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC=CC3=C2C=CO3)=C(S1)C1=CC=C(F)C=C1,DRUG_3978
3979,3979,3979,3979,3979,3979,3979,3979,DB11605,Myrrh,DrugBank,drug,,DRUG_3979
3980,3980,3980,3980,3980,3980,3980,3980,DB07249,"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine",DrugBank,drug,COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1,DRUG_3980
3981,3981,3981,3981,3981,3981,3981,3981,DB04630,Aldosterone,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO,DRUG_3981
3982,3982,3982,3982,3982,3982,3982,3982,DB09261,Certoparin,DrugBank,drug,,DRUG_3982
3983,3983,3983,3983,3983,3983,3983,3983,DB16770,Morin,DrugBank,drug,OC1=CC=C(C(O)=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,DRUG_3983
3984,3984,3984,3984,3984,3984,3984,3984,DB09313,Ioxaglic acid,DrugBank,drug,CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I,DRUG_3984
3985,3985,3985,3985,3985,3985,3985,3985,DB13511,Clebopride,DrugBank,drug,COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC2=CC=CC=C2)CC1,DRUG_3985
3986,3986,3986,3986,3986,3986,3986,3986,DB05559,NF-kappaB Decoy,DrugBank,drug,,DRUG_3986
3987,3987,3987,3987,3987,3987,3987,3987,DB12881,Indole-3-carbinol,DrugBank,drug,OCC1=CNC2=CC=CC=C12,DRUG_3987
3988,3988,3988,3988,3988,3988,3988,3988,DB14941,BMS-817399,DrugBank,drug,CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(C2=CC=C(Cl)C=C2)C(C)(C)C1,DRUG_3988
3989,3989,3989,3989,3989,3989,3989,3989,DB00362,Anidulafungin,DrugBank,drug,,DRUG_3989
3990,3990,3990,3990,3990,3990,3990,3990,DB02262,Orotic acid,DrugBank,drug,OC(=O)C1=CC(=O)NC(=O)N1,DRUG_3990
3991,3991,3991,3991,3991,3991,3991,3991,DB09312,Antilymphocyte immunoglobulin (horse),DrugBank,drug,,DRUG_3991
3992,3992,3992,3992,3992,3992,3992,3992,DB03449,N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide,DrugBank,drug,[H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1,DRUG_3992
3993,3993,3993,3993,3993,3993,3993,3993,DB01011,Metyrapone,DrugBank,drug,CC(C)(C(=O)C1=CN=CC=C1)C1=CC=CN=C1,DRUG_3993
3994,3994,3994,3994,3994,3994,3994,3994,DB06101,IMC-1C11,DrugBank,drug,,DRUG_3994
3995,3995,3995,3995,3995,3995,3995,3995,DB07014,"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole",DrugBank,drug,COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1,DRUG_3995
3996,3996,3996,3996,3996,3996,3996,3996,DB06865,6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,DrugBank,drug,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=CC(=C2)C1=CC=C(O)C=C1,DRUG_3996
3997,3997,3997,3997,3997,3997,3997,3997,DB06685,Laquinimod,DrugBank,drug,CCN(C(=O)C1=C(O)C2=C(C=CC=C2Cl)N(C)C1=O)C1=CC=CC=C1,DRUG_3997
3998,3998,3998,3998,3998,3998,3998,3998,DB02959,Oxitriptan,DrugBank,drug,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O,DRUG_3998
3999,3999,3999,3999,3999,3999,3999,3999,DB12589,Dacetuzumab,DrugBank,drug,,DRUG_3999
4000,4000,4000,4000,4000,4000,4000,4000,DB13272,Meladrazine,DrugBank,drug,CCN(CC)C1=NC(=NN)N=C(N1)N(CC)CC,DRUG_4000
4001,4001,4001,4001,4001,4001,4001,4001,DB12406,Lisofylline,DrugBank,drug,C[C@@H](O)CCCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,DRUG_4001
4002,4002,4002,4002,4002,4002,4002,4002,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",DrugBank,drug,CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1,DRUG_4002
4003,4003,4003,4003,4003,4003,4003,4003,DB00975,Dipyridamole,DrugBank,drug,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1,DRUG_4003
4004,4004,4004,4004,4004,4004,4004,4004,DB11772,Pilaralisib,DrugBank,drug,COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1,DRUG_4004
4005,4005,4005,4005,4005,4005,4005,4005,DB13044,Gossypol,DrugBank,drug,CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O,DRUG_4005
4006,4006,4006,4006,4006,4006,4006,4006,DB13178,Inositol,DrugBank,drug,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,DRUG_4006
4007,4007,4007,4007,4007,4007,4007,4007,DB13174,Rhein,DrugBank,drug,OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,DRUG_4007
4008,4008,4008,4008,4008,4008,4008,4008,DB12743,Z-160,DrugBank,drug,O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4008
4009,4009,4009,4009,4009,4009,4009,4009,DB05890,Veglin,DrugBank,drug,,DRUG_4009
4010,4010,4010,4010,4010,4010,4010,4010,DB16502,Zunsemetinib,DrugBank,drug,CC1=CC(OCC2=NC=C(F)C=C2F)=C(Cl)C(=O)N1C1=C(C)C=NC(=C1)C1=NC(=NC=C1)C(C)(C)O,DRUG_4010
4011,4011,4011,4011,4011,4011,4011,4011,DB03598,"Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",DrugBank,drug,COC1=CC=CC(=C1)N1C(CN2CCOCC2)=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,DRUG_4011
4012,4012,4012,4012,4012,4012,4012,4012,DB07001,"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine",DrugBank,drug,CCC[C@H]1COC2=C(SC=C2)C(N)=N1,DRUG_4012
4013,4013,4013,4013,4013,4013,4013,4013,DB08689,Ubiquinone Q1,DrugBank,drug,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,DRUG_4013
4014,4014,4014,4014,4014,4014,4014,4014,DB01728,"1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine",DrugBank,drug,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,DRUG_4014
4015,4015,4015,4015,4015,4015,4015,4015,DB08233,6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE,DrugBank,drug,OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,DRUG_4015
4016,4016,4016,4016,4016,4016,4016,4016,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",DrugBank,drug,[O-][N+](=O)C1=CC(=CC=C1)C1=CC2=C(S1)C=C1N2C(=S)N(CCCN2CCOCC2)C1=O,DRUG_4016
4017,4017,4017,4017,4017,4017,4017,4017,DB15584,Luteolin,DrugBank,drug,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1,DRUG_4017
4018,4018,4018,4018,4018,4018,4018,4018,DB05824,CNS-5161,DrugBank,drug,CSC1=CC(\N=C(/N)N(C)C2=CC(SC)=CC=C2)=C(Cl)C=C1,DRUG_4018
4019,4019,4019,4019,4019,4019,4019,4019,DB06521,Ertiprotafib,DrugBank,drug,CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1,DRUG_4019
4020,4020,4020,4020,4020,4020,4020,4020,DB03434,3-(N-morpholino)propanesulfonic acid,DrugBank,drug,OS(=O)(=O)CCCN1CCOCC1,DRUG_4020
4021,4021,4021,4021,4021,4021,4021,4021,DB12947,Doxifluridine,DrugBank,drug,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,DRUG_4021
4022,4022,4022,4022,4022,4022,4022,4022,DB14938,Flurbiprofen axetil,DrugBank,drug,CC(OC(C)=O)OC(=O)C(C)C1=CC(F)=C(C=C1)C1=CC=CC=C1,DRUG_4022
4023,4023,4023,4023,4023,4023,4023,4023,DB12564,Gemcitabine elaidate,DrugBank,drug,CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C(F)(F)[C@@H]1O,DRUG_4023
4024,4024,4024,4024,4024,4024,4024,4024,DB02222,"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine",DrugBank,drug,C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O,DRUG_4024
4025,4025,4025,4025,4025,4025,4025,4025,DB00198,Oseltamivir,DrugBank,drug,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,DRUG_4025
4026,4026,4026,4026,4026,4026,4026,4026,DB13626,Aluminium glycinate,DrugBank,drug,O.[OH-].[OH-].[Al+3].NCC([O-])=O,DRUG_4026
4027,4027,4027,4027,4027,4027,4027,4027,DB00496,Darifenacin,DrugBank,drug,NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4027
4028,4028,4028,4028,4028,4028,4028,4028,DB05091,M0002,DrugBank,drug,,DRUG_4028
4029,4029,4029,4029,4029,4029,4029,4029,DB14540,Hydrocortisone butyrate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_4029
4030,4030,4030,4030,4030,4030,4030,4030,DB18488,DMP-777,DrugBank,drug,CCC[C@@H](NC(=O)N1[C@@H](OC2=CC=C(C=C2)C(=O)N2CCN(C)CC2)C(CC)(CC)C1=O)C1=CC=C2OCOC2=C1,DRUG_4030
4031,4031,4031,4031,4031,4031,4031,4031,DB00579,Mazindol,DrugBank,drug,OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1,DRUG_4031
4032,4032,4032,4032,4032,4032,4032,4032,DB05675,EP-2104R,DrugBank,drug,,DRUG_4032
4033,4033,4033,4033,4033,4033,4033,4033,DB14997,Pateclizumab,DrugBank,drug,,DRUG_4033
4034,4034,4034,4034,4034,4034,4034,4034,DB09338,Mersalyl,DrugBank,drug,COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O,DRUG_4034
4035,4035,4035,4035,4035,4035,4035,4035,DB14041,Fremanezumab,DrugBank,drug,,DRUG_4035
4036,4036,4036,4036,4036,4036,4036,4036,DB07256,"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE",DrugBank,drug,NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,DRUG_4036
4037,4037,4037,4037,4037,4037,4037,4037,DB00309,Vindesine,DrugBank,drug,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,DRUG_4037
4038,4038,4038,4038,4038,4038,4038,4038,DB19177,PXS-4728A free base,DrugBank,drug,CC(C)(C)NC(=O)C1=CC=C(OC\C(CN)=C\F)C=C1,DRUG_4038
4039,4039,4039,4039,4039,4039,4039,4039,DB04466,SR12813,DrugBank,drug,CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC,DRUG_4039
4040,4040,4040,4040,4040,4040,4040,4040,DB08708,"N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine",DrugBank,drug,FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12,DRUG_4040
4041,4041,4041,4041,4041,4041,4041,4041,DB00865,Benzphetamine,DrugBank,drug,C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1,DRUG_4041
4042,4042,4042,4042,4042,4042,4042,4042,DB00876,Eprosartan,DrugBank,drug,CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O,DRUG_4042
4043,4043,4043,4043,4043,4043,4043,4043,DB13017,Rovalpituzumab tesirine,DrugBank,drug,,DRUG_4043
4044,4044,4044,4044,4044,4044,4044,4044,DB05469,R450,DrugBank,drug,,DRUG_4044
4045,4045,4045,4045,4045,4045,4045,4045,DB14083,Bisphenol A diglycidyl ether,DrugBank,drug,CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1,DRUG_4045
4046,4046,4046,4046,4046,4046,4046,4046,DB07025,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE,DrugBank,drug,NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1,DRUG_4046
4047,4047,4047,4047,4047,4047,4047,4047,DB18518,Crinecerfont,DrugBank,drug,COC1=CC(Cl)=C(C=C1C)C1=C(C)SC(=N1)N(CC#C)[C@@H](CC1CC1)C1=CC=C(C)C(F)=C1,DRUG_4047
4048,4048,4048,4048,4048,4048,4048,4048,DB00967,Desloratadine,DrugBank,drug,ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1,DRUG_4048
4049,4049,4049,4049,4049,4049,4049,4049,DB16266,Olodanrigan,DrugBank,drug,COC1=CC=C2CN([C@@H](CC2=C1OCC1=CC=CC=C1)C(O)=O)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4049
4050,4050,4050,4050,4050,4050,4050,4050,DB08513,[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID,DrugBank,drug,CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1,DRUG_4050
4051,4051,4051,4051,4051,4051,4051,4051,DB04971,Reglitazar,DrugBank,drug,CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1,DRUG_4051
4052,4052,4052,4052,4052,4052,4052,4052,DB03405,N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide,DrugBank,drug,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,DRUG_4052
4053,4053,4053,4053,4053,4053,4053,4053,DB08810,Cinitapride,DrugBank,drug,CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O,DRUG_4053
4054,4054,4054,4054,4054,4054,4054,4054,DB05009,Apadenoson,DrugBank,drug,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2N)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC,DRUG_4054
4055,4055,4055,4055,4055,4055,4055,4055,DB16733,Rimtuzalcap,DrugBank,drug,CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1,DRUG_4055
4056,4056,4056,4056,4056,4056,4056,4056,DB12677,Soblidotin,DrugBank,drug,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCC1=CC=CC=C1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,DRUG_4056
4057,4057,4057,4057,4057,4057,4057,4057,DB11648,Afuresertib,DrugBank,drug,CN1N=CC(Cl)=C1C1=C(Cl)SC(=C1)C(=O)N[C@H](CN)CC1=CC=CC(F)=C1,DRUG_4057
4058,4058,4058,4058,4058,4058,4058,4058,DB12803,Dichloroisoproterenol,DrugBank,drug,CC(C)NCC(O)C1=CC=C(Cl)C(Cl)=C1,DRUG_4058
4059,4059,4059,4059,4059,4059,4059,4059,DB14035,Englitazone,DrugBank,drug,O=C1NC(=O)C(CC2=CC=C3O[C@@H](CC4=CC=CC=C4)CCC3=C2)S1,DRUG_4059
4060,4060,4060,4060,4060,4060,4060,4060,DB16192,Imaradenant,DrugBank,drug,CC1=NC(Cl)=CC(=C1)C1=NN=C(N)N=C1C1=CC=C(F)C=C1,DRUG_4060
4061,4061,4061,4061,4061,4061,4061,4061,DB04101,"N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide",DrugBank,drug,CC1=NC(C)=C(S1)C1=NC(\N=C\NO)=NC=C1,DRUG_4061
4062,4062,4062,4062,4062,4062,4062,4062,DB00801,Halazepam,DrugBank,drug,FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,DRUG_4062
4063,4063,4063,4063,4063,4063,4063,4063,DB00674,Galantamine,DrugBank,drug,[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3,DRUG_4063
4064,4064,4064,4064,4064,4064,4064,4064,DB09517,Sodium ferric gluconate complex,DrugBank,drug,[O--].[O--].[O--].[Na+].[Fe+3].[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.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.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.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.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.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,DRUG_4064
4065,4065,4065,4065,4065,4065,4065,4065,DB02467,L-methionine (S)-S-oxide,DrugBank,drug,C[S@](=O)CC[C@H](N)C(O)=O,DRUG_4065
4066,4066,4066,4066,4066,4066,4066,4066,DB00992,Methyl aminolevulinate,DrugBank,drug,COC(=O)CCC(=O)CN,DRUG_4066
4067,4067,4067,4067,4067,4067,4067,4067,DB03254,4-Phenyl-1h-Imidazole,DrugBank,drug,N1C=NC=C1C1=CC=CC=C1,DRUG_4067
4068,4068,4068,4068,4068,4068,4068,4068,DB01664,(S)-DES-ME-AMPA,DrugBank,drug,N[C@@H](CC1=CONC1=O)C(O)=O,DRUG_4068
4069,4069,4069,4069,4069,4069,4069,4069,DB14544,Hydrocortisone valerate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_4069
4070,4070,4070,4070,4070,4070,4070,4070,DB11653,Bremelanotide,DrugBank,drug,,DRUG_4070
4071,4071,4071,4071,4071,4071,4071,4071,DB00489,Sotalol,DrugBank,drug,CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,DRUG_4071
4072,4072,4072,4072,4072,4072,4072,4072,DB11834,Guselkumab,DrugBank,drug,,DRUG_4072
4073,4073,4073,4073,4073,4073,4073,4073,DB03490,"3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole",DrugBank,drug,C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1,DRUG_4073
4074,4074,4074,4074,4074,4074,4074,4074,DB02915,"4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine",DrugBank,drug,CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1,DRUG_4074
4075,4075,4075,4075,4075,4075,4075,4075,DB14547,Chloride ion,DrugBank,drug,[Cl-],DRUG_4075
4076,4076,4076,4076,4076,4076,4076,4076,DB12729,ASP-3026,DrugBank,drug,COC1=CC(=CC=C1NC1=NC(NC2=CC=CC=C2S(=O)(=O)C(C)C)=NC=N1)N1CCC(CC1)N1CCN(C)CC1,DRUG_4076
4077,4077,4077,4077,4077,4077,4077,4077,DB06086,Affitope AD01,DrugBank,drug,,DRUG_4077
4078,4078,4078,4078,4078,4078,4078,4078,DB05422,OPC-14523,DrugBank,drug,COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1,DRUG_4078
4079,4079,4079,4079,4079,4079,4079,4079,DB11686,Iferanserin,DrugBank,drug,CN1CCCC[C@H]1CCC1=CC=CC=C1NC(=O)\C=C\C1=CC=CC=C1,DRUG_4079
4080,4080,4080,4080,4080,4080,4080,4080,DB00764,Mometasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4080
4081,4081,4081,4081,4081,4081,4081,4081,DB03666,Zidovudine monophosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,DRUG_4081
4082,4082,4082,4082,4082,4082,4082,4082,DB06916,"N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE",DrugBank,drug,[H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1,DRUG_4082
4083,4083,4083,4083,4083,4083,4083,4083,DB04545,Afegostat,DrugBank,drug,OC[C@H]1CNC[C@@H](O)[C@@H]1O,DRUG_4083
4084,4084,4084,4084,4084,4084,4084,4084,DB01357,Mestranol,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3,DRUG_4084
4085,4085,4085,4085,4085,4085,4085,4085,DB04828,Zomepirac,DrugBank,drug,CN1C(CC(O)=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1,DRUG_4085
4086,4086,4086,4086,4086,4086,4086,4086,DB01128,Bicalutamide,DrugBank,drug,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,DRUG_4086
4087,4087,4087,4087,4087,4087,4087,4087,DB13094,Pruvanserin,DrugBank,drug,FC1=CC=C(CCN2CCN(CC2)C(=O)C2=C3NC=C(C#N)C3=CC=C2)C=C1,DRUG_4087
4088,4088,4088,4088,4088,4088,4088,4088,DB03048,6-Carboxymethyluracil,DrugBank,drug,OC(=O)CC1=CC(=O)NC(=O)N1,DRUG_4088
4089,4089,4089,4089,4089,4089,4089,4089,DB04760,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)",DrugBank,drug,CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1,DRUG_4089
4090,4090,4090,4090,4090,4090,4090,4090,DB08221,N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE,DrugBank,drug,CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1NC1=NC=CC=C1C1=CC=NC=N1,DRUG_4090
4091,4091,4091,4091,4091,4091,4091,4091,DB07371,3-(10-methyl-9-anthryl)propanoic acid,DrugBank,drug,CC1=C2C=CC=CC2=C(CCC(O)=O)C2=C1C=CC=C2,DRUG_4091
4092,4092,4092,4092,4092,4092,4092,4092,DB05895,HGS-TR2J,DrugBank,drug,,DRUG_4092
4093,4093,4093,4093,4093,4093,4093,4093,DB12687,Vesatolimod,DrugBank,drug,CCCCOC1=NC(N)=C2NC(=O)CN(CC3=CC=CC(CN4CCCC4)=C3)C2=N1,DRUG_4093
4094,4094,4094,4094,4094,4094,4094,4094,DB08426,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE",DrugBank,drug,[H][C@@]1(CCN(CC2=CC3=C(N2)C=NC=C3)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,DRUG_4094
4095,4095,4095,4095,4095,4095,4095,4095,DB12697,Methylselenocysteine,DrugBank,drug,C[Se]C[C@H](N)C(O)=O,DRUG_4095
4096,4096,4096,4096,4096,4096,4096,4096,DB01740,"4-butyl-5-propyl-1,3-selenazol-2-amine",DrugBank,drug,[H]N([H])C1=NC(CCCC)=C(CCC)[Se]1,DRUG_4096
4097,4097,4097,4097,4097,4097,4097,4097,DB00711,Diethylcarbamazine,DrugBank,drug,CCN(CC)C(=O)N1CCN(C)CC1,DRUG_4097
4098,4098,4098,4098,4098,4098,4098,4098,DB08521,4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine,DrugBank,drug,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1,DRUG_4098
4099,4099,4099,4099,4099,4099,4099,4099,DB09319,Carindacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O,DRUG_4099
4100,4100,4100,4100,4100,4100,4100,4100,DB03910,"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",DrugBank,drug,NC(=N)SCCC1=CC(CCSC(N)=N)=CC=C1,DRUG_4100
4101,4101,4101,4101,4101,4101,4101,4101,DB07680,[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID,DrugBank,drug,[H][C@@](C(=O)NC1=CC=C2C=CC=CC2=C1)(C1=CSC2=C1C=C(Cl)C=C2)P(O)(O)=O,DRUG_4101
4102,4102,4102,4102,4102,4102,4102,4102,DB01262,Decitabine,DrugBank,drug,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1,DRUG_4102
4103,4103,4103,4103,4103,4103,4103,4103,DB02366,CRA_10762,DrugBank,drug,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1Cl,DRUG_4103
4104,4104,4104,4104,4104,4104,4104,4104,DB04121,Guanosine-3'-monophosphate-5'-diphosphate,DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,DRUG_4104
4105,4105,4105,4105,4105,4105,4105,4105,DB16863,Butylated hydroxytoluene,DrugBank,drug,CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,DRUG_4105
4106,4106,4106,4106,4106,4106,4106,4106,DB06773,Human calcitonin,DrugBank,drug,,DRUG_4106
4107,4107,4107,4107,4107,4107,4107,4107,DB14025,Clinafloxacin,DrugBank,drug,NC1CCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O,DRUG_4107
4108,4108,4108,4108,4108,4108,4108,4108,DB02887,Stavudine triphosphate,DrugBank,drug,CC1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,DRUG_4108
4109,4109,4109,4109,4109,4109,4109,4109,DB12978,Pexidartinib,DrugBank,drug,FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1,DRUG_4109
4110,4110,4110,4110,4110,4110,4110,4110,DB06302,Glesatinib,DrugBank,drug,COCCNCC1=CC=C(N=C1)C1=CC2=NC=CC(OC3=CC=C(NC(=S)NC(=O)CC4=CC=C(F)C=C4)C=C3F)=C2S1,DRUG_4110
4111,4111,4111,4111,4111,4111,4111,4111,DB01531,Desomorphine,DrugBank,drug,[H][C@@]12CCC[C@@]3([H])[C@@]4([H])CC5=CC=C(O)C(O1)=C5[C@@]23CCN4C,DRUG_4111
4112,4112,4112,4112,4112,4112,4112,4112,DB07363,"THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)",DrugBank,drug,CC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,DRUG_4112
4113,4113,4113,4113,4113,4113,4113,4113,DB13148,Coagulation factor X human,DrugBank,drug,,DRUG_4113
4114,4114,4114,4114,4114,4114,4114,4114,DB15029,AZD-8186,DrugBank,drug,C[C@@H](NC1=CC(F)=CC(F)=C1)C1=CC(=CC2=C1OC(=CC2=O)N1CCOCC1)C(=O)N(C)C,DRUG_4114
4115,4115,4115,4115,4115,4115,4115,4115,DB06202,Lasofoxifene,DrugBank,drug,[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1,DRUG_4115
4116,4116,4116,4116,4116,4116,4116,4116,DB09053,Ibrutinib,DrugBank,drug,NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_4116
4117,4117,4117,4117,4117,4117,4117,4117,DB07636,"5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione",DrugBank,drug,CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O,DRUG_4117
4118,4118,4118,4118,4118,4118,4118,4118,DB11798,Tanzisertib,DrugBank,drug,[H][C@@]1(CCOC1)N1C(NC2=C(F)C=C(F)C=C2F)=NC2=CN=C(N[C@@]3([H])CC[C@]([H])(O)CC3)N=C12,DRUG_4118
4119,4119,4119,4119,4119,4119,4119,4119,DB08531,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,DRUG_4119
4120,4120,4120,4120,4120,4120,4120,4120,DB15669,Fezolinetant,DrugBank,drug,C[C@H]1N(CCN2C1=NN=C2C1=NC(C)=NS1)C(=O)C1=CC=C(F)C=C1,DRUG_4120
4121,4121,4121,4121,4121,4121,4121,4121,DB01061,Azlocillin,DrugBank,drug,[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1,DRUG_4121
4122,4122,4122,4122,4122,4122,4122,4122,DB17832,Tinlarebant,DrugBank,drug,CC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCC(CC1)C1=CC=C(F)C(F)=C1C(F)(F)F,DRUG_4122
4123,4123,4123,4123,4123,4123,4123,4123,DB01073,Fludarabine,DrugBank,drug,NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_4123
4124,4124,4124,4124,4124,4124,4124,4124,DB00995,Auranofin,DrugBank,drug,CC[P+](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,DRUG_4124
4125,4125,4125,4125,4125,4125,4125,4125,DB00602,Ivermectin,DrugBank,drug,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O.[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,DRUG_4125
4126,4126,4126,4126,4126,4126,4126,4126,DB07967,9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE,DrugBank,drug,N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1,DRUG_4126
4127,4127,4127,4127,4127,4127,4127,4127,DB13504,Cefetamet,DrugBank,drug,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_4127
4128,4128,4128,4128,4128,4128,4128,4128,DB18707,AVL-3288,DrugBank,drug,CC1=NOC(=C1)C(=C\NC1=CC=C(Cl)C=C1)\C(=O)NC1=CC=C(Cl)C=C1,DRUG_4128
4129,4129,4129,4129,4129,4129,4129,4129,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",DrugBank,drug,[H][C@@]1(CC[C@]([H])(C2=C(F)C=C(F)C(F)=C2)[C@@]([H])(N)C1)N1CCN2C(C1)=NN=C2C(F)(F)F,DRUG_4129
4130,4130,4130,4130,4130,4130,4130,4130,DB02958,Selenomethionine Selenoxide,DrugBank,drug,[H][C@](N)(CC[Se](C)=O)C(O)=O,DRUG_4130
4131,4131,4131,4131,4131,4131,4131,4131,DB01403,Methotrimeprazine,DrugBank,drug,COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1,DRUG_4131
4132,4132,4132,4132,4132,4132,4132,4132,DB15271,Crizanlizumab,DrugBank,drug,,DRUG_4132
4133,4133,4133,4133,4133,4133,4133,4133,DB15305,Risdiplam,DrugBank,drug,CC1=CN2N=C(C=C(C)C2=N1)C1=CC(=O)N2C=C(C=CC2=N1)N1CCNC2(CC2)C1,DRUG_4133
4134,4134,4134,4134,4134,4134,4134,4134,DB04991,XL784,DrugBank,drug,,DRUG_4134
4135,4135,4135,4135,4135,4135,4135,4135,DB04398,Lactic acid,DrugBank,drug,CC(O)C(O)=O,DRUG_4135
4136,4136,4136,4136,4136,4136,4136,4136,DB13616,Melagatran,DrugBank,drug,[H][C@]1(CCN1C(=O)[C@H](NCC(O)=O)C1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_4136
4137,4137,4137,4137,4137,4137,4137,4137,DB13535,Nebacumab,DrugBank,drug,,DRUG_4137
4138,4138,4138,4138,4138,4138,4138,4138,DB14634,Fluprednidene acetate,DrugBank,drug,[H][C@@]12CC(=C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4138
4139,4139,4139,4139,4139,4139,4139,4139,DB14722,ADU-S100,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@@H]3[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]2[C@H]1O)O[C@H]3N1C=NC2=C1N=CN=C2N,DRUG_4139
4140,4140,4140,4140,4140,4140,4140,4140,DB14909,Imetelstat,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)NCC(O)COP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1NP(S)(=O)OCC1OC(CC1N)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=CN=C2N)N1C=CC(N)=NC1=O)N1C=NC2=C1N=CN=C2N)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=CN=C2N)N1C=C(C)C(=O)NC1=O)N1C=C(C)C(=O)NC1=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=C(N)NC2=O)N1C=NC2=C1N=CN=C2N)N1C=C(C)C(=O)NC1=O,DRUG_4140
4141,4141,4141,4141,4141,4141,4141,4141,DB02243,4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide,DrugBank,drug,[H][C@](CCC)(C=CS(=O)(=O)C1=CC=CC=C1)N=C(O)[C@]([H])(CC1=CC=CC=C1)N=C(O)N1CCC(CC1)N1CCOCC1,DRUG_4141
4142,4142,4142,4142,4142,4142,4142,4142,DB18007,Dersimelagon,DrugBank,drug,COC[C@H]1CN(C[C@@H]1C1=CC=C(C=C1N1CCC(CC1)C(O)=O)C(F)(F)F)C(=O)[C@]1(F)CN(C[C@H]1C1=CC=C(OC)C=C1)C1CCCC1,DRUG_4142
4143,4143,4143,4143,4143,4143,4143,4143,DB13618,Ipriflavone,DrugBank,drug,CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1,DRUG_4143
4144,4144,4144,4144,4144,4144,4144,4144,DB05367,Actelion-1,DrugBank,drug,,DRUG_4144
4145,4145,4145,4145,4145,4145,4145,4145,DB00076,Digoxin Immune Fab (Ovine),DrugBank,drug,,DRUG_4145
4146,4146,4146,4146,4146,4146,4146,4146,DB16473,MEDI3506,DrugBank,drug,,DRUG_4146
4147,4147,4147,4147,4147,4147,4147,4147,DB04886,Calanolide A,DrugBank,drug,CCCC1=CC(=O)OC2=C1C1=C(C=CC(C)(C)O1)C1=C2[C@@H](O)[C@H](C)[C@@H](C)O1,DRUG_4147
4148,4148,4148,4148,4148,4148,4148,4148,DB07834,"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide",DrugBank,drug,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1,DRUG_4148
4149,4149,4149,4149,4149,4149,4149,4149,DB07266,AKI-001,DrugBank,drug,CCN1C(=O)C(C)(C)C2=CC3=C(C=C12)C1=C(N3)C2=NNC(C)=C2CCC1,DRUG_4149
4150,4150,4150,4150,4150,4150,4150,4150,DB09149,Florbetapir F-18,DrugBank,drug,[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H],DRUG_4150
4151,4151,4151,4151,4151,4151,4151,4151,DB08693,L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,DrugBank,drug,[H]N([C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)O)C(C)=O,DRUG_4151
4152,4152,4152,4152,4152,4152,4152,4152,DB08140,"5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE",DrugBank,drug,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N,DRUG_4152
4153,4153,4153,4153,4153,4153,4153,4153,DB08985,Etilefrine,DrugBank,drug,CCNCC(O)C1=CC=CC(O)=C1,DRUG_4153
4154,4154,4154,4154,4154,4154,4154,4154,DB01166,Cilostazol,DrugBank,drug,O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2,DRUG_4154
4155,4155,4155,4155,4155,4155,4155,4155,DB07784,"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID",DrugBank,drug,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(CC[C@@]2([H])CC1)NC(=O)OCC(O)=O)C1=CC=C(NC(C)=O)C=C1,DRUG_4155
4156,4156,4156,4156,4156,4156,4156,4156,DB11050,Typhoid Vaccine Live,DrugBank,drug,,DRUG_4156
4157,4157,4157,4157,4157,4157,4157,4157,DB11330,Factor IX Complex (Human),DrugBank,drug,,DRUG_4157
4158,4158,4158,4158,4158,4158,4158,4158,DB07480,4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN,DrugBank,drug,OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1,DRUG_4158
4159,4159,4159,4159,4159,4159,4159,4159,DB07696,methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate,DrugBank,drug,[H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O,DRUG_4159
4160,4160,4160,4160,4160,4160,4160,4160,DB07298,"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID",DrugBank,drug,OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O,DRUG_4160
4161,4161,4161,4161,4161,4161,4161,4161,DB07509,difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron,DrugBank,drug,CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12,DRUG_4161
4162,4162,4162,4162,4162,4162,4162,4162,DB07966,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile,DrugBank,drug,N#CCC1=CC=C(NC2=NC3=CC=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1,DRUG_4162
4163,4163,4163,4163,4163,4163,4163,4163,DB07324,"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE",DrugBank,drug,CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1,DRUG_4163
4164,4164,4164,4164,4164,4164,4164,4164,DB13145,Nedaplatin,DrugBank,drug,[H][N]([H])([H])[Pt]1(OCC(=O)O1)[N]([H])([H])[H],DRUG_4164
4165,4165,4165,4165,4165,4165,4165,4165,DB09480,Iofetamine I-123,DrugBank,drug,CC(C)NC(C)CC1=CC=C([123I])C=C1,DRUG_4165
4166,4166,4166,4166,4166,4166,4166,4166,DB03955,1-deoxymannojirimycin,DrugBank,drug,[H][C@@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,DRUG_4166
4167,4167,4167,4167,4167,4167,4167,4167,DB08187,N-Methylphenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide,DrugBank,drug,CN[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,DRUG_4167
4168,4168,4168,4168,4168,4168,4168,4168,DB02260,4-Oxosebacic Acid,DrugBank,drug,OC(=O)CCCCCC(=O)CCC(O)=O,DRUG_4168
4169,4169,4169,4169,4169,4169,4169,4169,DB05271,Rotigotine,DrugBank,drug,CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1,DRUG_4169
4170,4170,4170,4170,4170,4170,4170,4170,DB08202,4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE,DrugBank,drug,CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O,DRUG_4170
4171,4171,4171,4171,4171,4171,4171,4171,DB05528,Mipomersen,DrugBank,drug,,DRUG_4171
4172,4172,4172,4172,4172,4172,4172,4172,DB14548,"Zinc sulfate, unspecified form",DrugBank,drug,,DRUG_4172
4173,4173,4173,4173,4173,4173,4173,4173,DB12627,GSK-1292263,DrugBank,drug,CC(C)C1=NOC(=N1)N1CCC(COC2=CC=C(N=C2)C2=CC=C(C=C2)S(C)(=O)=O)CC1,DRUG_4173
4174,4174,4174,4174,4174,4174,4174,4174,DB13503,Tyrothricin,DrugBank,drug,,DRUG_4174
4175,4175,4175,4175,4175,4175,4175,4175,DB04868,Nilotinib,DrugBank,drug,CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F,DRUG_4175
4176,4176,4176,4176,4176,4176,4176,4176,DB06689,Ethanolamine oleate,DrugBank,drug,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O,DRUG_4176
4177,4177,4177,4177,4177,4177,4177,4177,DB08621,Thiamphenicol,DrugBank,drug,[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)S(C)(=O)=O,DRUG_4177
4178,4178,4178,4178,4178,4178,4178,4178,DB14040,Eptinezumab,DrugBank,drug,,DRUG_4178
4179,4179,4179,4179,4179,4179,4179,4179,DB09008,Cefaloridine,DrugBank,drug,[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C([O-])=O,DRUG_4179
4180,4180,4180,4180,4180,4180,4180,4180,DB11692,Pavinetant,DrugBank,drug,CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4180
4181,4181,4181,4181,4181,4181,4181,4181,DB00569,Fondaparinux,DrugBank,drug,CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O,DRUG_4181
4182,4182,4182,4182,4182,4182,4182,4182,DB08916,Afatinib,DrugBank,drug,CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1,DRUG_4182
4183,4183,4183,4183,4183,4183,4183,4183,DB08113,3-pyridin-4-yl-1H-indazole,DrugBank,drug,N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1,DRUG_4183
4184,4184,4184,4184,4184,4184,4184,4184,DB02217,Dpb-T,DrugBank,drug,[H][C@]1(C[C@]2([H])O[C@@](OC[C@]2([H])O1)(C1=CC=CC=C1)P(O)(O)=O)N1C=C(C)C(=O)NC1=O,DRUG_4184
4185,4185,4185,4185,4185,4185,4185,4185,DB19193,CFG-920,DrugBank,drug,CC1=CC=NC=C1N1CCN(C1=O)C1=CC=NC(Cl)=C1,DRUG_4185
4186,4186,4186,4186,4186,4186,4186,4186,DB13322,Hydrotalcite,DrugBank,drug,O.O.O.O.O.O.O.O.O.O.O.O.[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Al+3].[Al+3].[O-]C([O-])=O,DRUG_4186
4187,4187,4187,4187,4187,4187,4187,4187,DB07013,TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE,DrugBank,drug,CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO,DRUG_4187
4188,4188,4188,4188,4188,4188,4188,4188,DB02730,4-Methylthio-Alpha-D-Mannose,DrugBank,drug,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O,DRUG_4188
4189,4189,4189,4189,4189,4189,4189,4189,DB00326,Calcium glucoheptonate,DrugBank,drug,[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C([O-])=O,DRUG_4189
4190,4190,4190,4190,4190,4190,4190,4190,DB02731,Ethylmercurithiosalicylic acid,DrugBank,drug,CC[Hg]SC1=CC=CC=C1C(O)=O,DRUG_4190
4191,4191,4191,4191,4191,4191,4191,4191,DB00530,Erlotinib,DrugBank,drug,COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2,DRUG_4191
4192,4192,4192,4192,4192,4192,4192,4192,DB13082,Nefiracetam,DrugBank,drug,CC1=CC=CC(C)=C1NC(=O)CN1CCCC1=O,DRUG_4192
4193,4193,4193,4193,4193,4193,4193,4193,DB03626,"5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione",DrugBank,drug,COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O,DRUG_4193
4194,4194,4194,4194,4194,4194,4194,4194,DB01349,Tasosartan,DrugBank,drug,CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1,DRUG_4194
4195,4195,4195,4195,4195,4195,4195,4195,DB16623,Amidephrine,DrugBank,drug,CNCC(O)C1=CC(NS(C)(=O)=O)=CC=C1,DRUG_4195
4196,4196,4196,4196,4196,4196,4196,4196,DB09117,Paraldehyde,DrugBank,drug,CC1OC(C)OC(C)O1,DRUG_4196
4197,4197,4197,4197,4197,4197,4197,4197,DB01933,7-Hydroxystaurosporine,DrugBank,drug,[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,DRUG_4197
4198,4198,4198,4198,4198,4198,4198,4198,DB13144,Lenograstim,DrugBank,drug,,DRUG_4198
4199,4199,4199,4199,4199,4199,4199,4199,DB00587,Cinalukast,DrugBank,drug,CCC(CC)(CC(=O)NC1=CC(\C=C\C2=NC(=CS2)C2CCC2)=CC=C1)C(O)=O,DRUG_4199
4200,4200,4200,4200,4200,4200,4200,4200,DB00731,Nateglinide,DrugBank,drug,CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,DRUG_4200
4201,4201,4201,4201,4201,4201,4201,4201,DB13756,Peruvoside,DrugBank,drug,CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O,DRUG_4201
4202,4202,4202,4202,4202,4202,4202,4202,DB05951,CRA-028129,DrugBank,drug,,DRUG_4202
4203,4203,4203,4203,4203,4203,4203,4203,DB15212,Pemafibrate,DrugBank,drug,CC[C@@H](OC1=CC(CN(CCCOC2=CC=C(OC)C=C2)C2=NC3=C(O2)C=CC=C3)=CC=C1)C(O)=O,DRUG_4203
4204,4204,4204,4204,4204,4204,4204,4204,DB04072,Alpha-Methylisocitric Acid,DrugBank,drug,C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O,DRUG_4204
4205,4205,4205,4205,4205,4205,4205,4205,DB00623,Fluphenazine,DrugBank,drug,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,DRUG_4205
4206,4206,4206,4206,4206,4206,4206,4206,DB06694,Xylometazoline,DrugBank,drug,CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C,DRUG_4206
4207,4207,4207,4207,4207,4207,4207,4207,DB12370,Ipamorelin,DrugBank,drug,CC(C)(N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC1=CC=C2C=CC=CC2=C1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(N)=O,DRUG_4207
4208,4208,4208,4208,4208,4208,4208,4208,DB04194,Triacetylchitotriose,DrugBank,drug,CC(=O)N[C@H]1[C@H](O)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,DRUG_4208
4209,4209,4209,4209,4209,4209,4209,4209,DB15640,CDC-801,DrugBank,drug,COC1=CC=C(C=C1OC1CCCC1)C(CC(N)=O)N1C(=O)C2=C(C=CC=C2)C1=O,DRUG_4209
4210,4210,4210,4210,4210,4210,4210,4210,DB11873,Verinurad,DrugBank,drug,CC(C)(SC1=CC=NC=C1C1=C2C=CC=CC2=C(C=C1)C#N)C(O)=O,DRUG_4210
4211,4211,4211,4211,4211,4211,4211,4211,DB16099,Avalglucosidase alfa,DrugBank,drug,,DRUG_4211
4212,4212,4212,4212,4212,4212,4212,4212,DB07857,(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,DrugBank,drug,NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,DRUG_4212
4213,4213,4213,4213,4213,4213,4213,4213,DB07877,"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE",DrugBank,drug,CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N,DRUG_4213
4214,4214,4214,4214,4214,4214,4214,4214,DB09052,Blinatumomab,DrugBank,drug,,DRUG_4214
4215,4215,4215,4215,4215,4215,4215,4215,DB08932,Macitentan,DrugBank,drug,CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1,DRUG_4215
4216,4216,4216,4216,4216,4216,4216,4216,DB02550,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",DrugBank,drug,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1,DRUG_4216
4217,4217,4217,4217,4217,4217,4217,4217,DB18794,Trazpiroben,DrugBank,drug,OC(=O)C1=CC=CC(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)C4=CC=CC=C4)CC3)C2=O)=C1,DRUG_4217
4218,4218,4218,4218,4218,4218,4218,4218,DB12099,"UK-396,082",DrugBank,drug,[H][C@](CCCN)(CC1=CN(CCC)C=N1)C(O)=O,DRUG_4218
4219,4219,4219,4219,4219,4219,4219,4219,DB06697,Artemether,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](OC)[C@@H]2C)O4,DRUG_4219
4220,4220,4220,4220,4220,4220,4220,4220,DB08522,4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE,DrugBank,drug,FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1,DRUG_4220
4221,4221,4221,4221,4221,4221,4221,4221,DB01407,Clenbuterol,DrugBank,drug,CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1,DRUG_4221
4222,4222,4222,4222,4222,4222,4222,4222,DB07501,(2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,DrugBank,drug,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,DRUG_4222
4223,4223,4223,4223,4223,4223,4223,4223,DB00783,Estradiol,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_4223
4224,4224,4224,4224,4224,4224,4224,4224,DB07529,"(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one",DrugBank,drug,N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1,DRUG_4224
4225,4225,4225,4225,4225,4225,4225,4225,DB09251,Phenoxypropazine,DrugBank,drug,[H]N([H])N([H])C(C)COC1=CC=CC=C1,DRUG_4225
4226,4226,4226,4226,4226,4226,4226,4226,DB03326,"Deoxycytidylyl-3',5'-guanosine",DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OC2CC(OC2CO)N2C=CC(N)=NC2=O)O1,DRUG_4226
4227,4227,4227,4227,4227,4227,4227,4227,DB00795,Sulfasalazine,DrugBank,drug,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1,DRUG_4227
4228,4228,4228,4228,4228,4228,4228,4228,DB08323,3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE,DrugBank,drug,[H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC,DRUG_4228
4229,4229,4229,4229,4229,4229,4229,4229,DB07163,5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE,DrugBank,drug,NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23,DRUG_4229
4230,4230,4230,4230,4230,4230,4230,4230,DB07644,"5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine",DrugBank,drug,[H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1,DRUG_4230
4231,4231,4231,4231,4231,4231,4231,4231,DB05115,NN344,DrugBank,drug,,DRUG_4231
4232,4232,4232,4232,4232,4232,4232,4232,DB00664,Sulfametopyrazine,DrugBank,drug,COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_4232
4233,4233,4233,4233,4233,4233,4233,4233,DB07000,"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide",DrugBank,drug,CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F,DRUG_4233
4234,4234,4234,4234,4234,4234,4234,4234,DB07981,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide,DrugBank,drug,CC[C@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12,DRUG_4234
4235,4235,4235,4235,4235,4235,4235,4235,DB13241,Begelomab,DrugBank,drug,,DRUG_4235
4236,4236,4236,4236,4236,4236,4236,4236,DB02449,3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid,DrugBank,drug,[H][C@@](CC1=CNC2=CC=CC=C12)(NS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1)C(O)=O,DRUG_4236
4237,4237,4237,4237,4237,4237,4237,4237,DB08229,[N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid,DrugBank,drug,[H]N([H])N(CC(O)=O)C(=O)CC([H])(O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1,DRUG_4237
4238,4238,4238,4238,4238,4238,4238,4238,DB00205,Pyrimethamine,DrugBank,drug,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1,DRUG_4238
4239,4239,4239,4239,4239,4239,4239,4239,DB04786,Suramin,DrugBank,drug,CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O,DRUG_4239
4240,4240,4240,4240,4240,4240,4240,4240,DB11758,Cenicriviroc,DrugBank,drug,CCCCOCCOC1=CC=C(C=C1)C1=CC2=C(C=C1)N(CC(C)C)CCC\C(=C/2)C(=O)NC1=CC=C(C=C1)[S@@](=O)CC1=CN=CN1CCC,DRUG_4240
4241,4241,4241,4241,4241,4241,4241,4241,DB14014,SR-9011,DrugBank,drug,CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,DRUG_4241
4242,4242,4242,4242,4242,4242,4242,4242,DB04216,Quercetin,DrugBank,drug,OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,DRUG_4242
4243,4243,4243,4243,4243,4243,4243,4243,DB02210,"Hexane-1,6-Diol",DrugBank,drug,OCCCCCCO,DRUG_4243
4244,4244,4244,4244,4244,4244,4244,4244,DB08329,Sulthiame,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O,DRUG_4244
4245,4245,4245,4245,4245,4245,4245,4245,DB15496,Didesmethylrocaglamide,DrugBank,drug,COC1=CC=C(C=C1)[C@@]12OC3=CC(OC)=CC(OC)=C3[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(N)=O,DRUG_4245
4246,4246,4246,4246,4246,4246,4246,4246,DB02136,Cephalosporin analog,DrugBank,drug,[H][C@]1(NC(C(O)=O)=C(CC[C@H](NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)CS1)[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,DRUG_4246
4247,4247,4247,4247,4247,4247,4247,4247,DB03062,(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone,DrugBank,drug,CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1,DRUG_4247
4248,4248,4248,4248,4248,4248,4248,4248,DB01111,Colistimethate,DrugBank,drug,CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O,DRUG_4248
4249,4249,4249,4249,4249,4249,4249,4249,DB08258,6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID,DrugBank,drug,OC(=O)CCCCCNC(=O)NC1CCCCC1,DRUG_4249
4250,4250,4250,4250,4250,4250,4250,4250,DB03704,12-Hydroxydodecanoic Acid,DrugBank,drug,OCCCCCCCCCCCC(O)=O,DRUG_4250
4251,4251,4251,4251,4251,4251,4251,4251,DB03793,Benzoic acid,DrugBank,drug,OC(=O)C1=CC=CC=C1,DRUG_4251
4252,4252,4252,4252,4252,4252,4252,4252,DB11166,Antithrombin Alfa,DrugBank,drug,,DRUG_4252
4253,4253,4253,4253,4253,4253,4253,4253,DB12635,Aleplasinin,DrugBank,drug,CC1=CC=CC(=C1)C1=CC=C2N(CC3=CC=C(C=C3)C(C)(C)C)C=C(C(=O)C(O)=O)C2=C1,DRUG_4253
4254,4254,4254,4254,4254,4254,4254,4254,DB04287,KH064,DrugBank,drug,[H]N([C@@H](CCC(O)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCCCCCC1=CC=CC=C1,DRUG_4254
4255,4255,4255,4255,4255,4255,4255,4255,DB05481,Recombinant alpha 1-antitrypsin,DrugBank,drug,,DRUG_4255
4256,4256,4256,4256,4256,4256,4256,4256,DB12409,Vatreptacog alfa,DrugBank,drug,,DRUG_4256
4257,4257,4257,4257,4257,4257,4257,4257,DB08416,"(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE",DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(OC)C(OS(N)(=O)=O)=C4)[C@@]3([H])CC[C@]12C)OS(N)(=O)=O,DRUG_4257
4258,4258,4258,4258,4258,4258,4258,4258,DB08044,ABT-341,DrugBank,drug,[H][C@]1(N)CC(=CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C(=O)N1CCN2C(C1)=NN=C2C(F)(F)F,DRUG_4258
4259,4259,4259,4259,4259,4259,4259,4259,DB14210,Moexiprilat,DrugBank,drug,COC1=C(OC)C=C2CN([C@@H](CC2=C1)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O,DRUG_4259
4260,4260,4260,4260,4260,4260,4260,4260,DB11582,Thiocolchicoside,DrugBank,drug,COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC,DRUG_4260
4261,4261,4261,4261,4261,4261,4261,4261,DB07488,"{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone",DrugBank,drug,COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1,DRUG_4261
4262,4262,4262,4262,4262,4262,4262,4262,DB03120,p-Toluenesulfonic acid,DrugBank,drug,CC1=CC=C(C=C1)S(O)(=O)=O,DRUG_4262
4263,4263,4263,4263,4263,4263,4263,4263,DB00070,Hyaluronidase (ovine),DrugBank,drug,,DRUG_4263
4264,4264,4264,4264,4264,4264,4264,4264,DB00351,Megestrol acetate,DrugBank,drug,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,DRUG_4264
4265,4265,4265,4265,4265,4265,4265,4265,DB07597,"CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",DrugBank,drug,[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O,DRUG_4265
4266,4266,4266,4266,4266,4266,4266,4266,DB04789,5-methyltetrahydrofolic acid,DrugBank,drug,CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,DRUG_4266
4267,4267,4267,4267,4267,4267,4267,4267,DB09063,Ceritinib,DrugBank,drug,CC(C)OC1=C(NC2=NC(NC3=CC=CC=C3S(=O)(=O)C(C)C)=C(Cl)C=N2)C=C(C)C(=C1)C1CCNCC1,DRUG_4267
4268,4268,4268,4268,4268,4268,4268,4268,DB04429,4'-Hydroxyflavanone,DrugBank,drug,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=CC=C2O1,DRUG_4268
4269,4269,4269,4269,4269,4269,4269,4269,DB13637,Tenitramine,DrugBank,drug,[O-][N+](=O)OCCN(CCO[N+]([O-])=O)CCN(CCO[N+]([O-])=O)CCO[N+]([O-])=O,DRUG_4269
4270,4270,4270,4270,4270,4270,4270,4270,DB07099,N-[4-(benzyloxy)phenyl]glycinamide,DrugBank,drug,NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,DRUG_4270
4271,4271,4271,4271,4271,4271,4271,4271,DB07390,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide",DrugBank,drug,CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC1=NNC(=S)S1,DRUG_4271
4272,4272,4272,4272,4272,4272,4272,4272,DB00615,Rifabutin,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)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)=C1NC3(CCN(CC3)CC(C)C)N=C21,DRUG_4272
4273,4273,4273,4273,4273,4273,4273,4273,DB13006,Cibinetide,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O,DRUG_4273
4274,4274,4274,4274,4274,4274,4274,4274,DB06209,Prasugrel,DrugBank,drug,CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1,DRUG_4274
4275,4275,4275,4275,4275,4275,4275,4275,DB03628,ISO24,DrugBank,drug,CCC1=CC=C(NC(=O)P(O)(O)=O)C=C1,DRUG_4275
4276,4276,4276,4276,4276,4276,4276,4276,DB02741,CD564,DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,DRUG_4276
4277,4277,4277,4277,4277,4277,4277,4277,DB12202,Zalutumumab,DrugBank,drug,,DRUG_4277
4278,4278,4278,4278,4278,4278,4278,4278,DB03572,FR230513,DrugBank,drug,[H][C@](CO)(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O,DRUG_4278
4279,4279,4279,4279,4279,4279,4279,4279,DB16250,Nazartinib,DrugBank,drug,CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)N1C(NC(=O)C2=CC=NC(C)=C2)=NC2=C1C(Cl)=CC=C2,DRUG_4279
4280,4280,4280,4280,4280,4280,4280,4280,DB08023,"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine",DrugBank,drug,CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12,DRUG_4280
4281,4281,4281,4281,4281,4281,4281,4281,DB07964,"(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",DrugBank,drug,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO,DRUG_4281
4282,4282,4282,4282,4282,4282,4282,4282,DB16080,Acolbifene,DrugBank,drug,CC1=C([C@@H](OC2=C1C=CC(O)=C2)C1=CC=C(OCCN2CCCCC2)C=C1)C1=CC=C(O)C=C1,DRUG_4282
4283,4283,4283,4283,4283,4283,4283,4283,DB01123,Proflavine,DrugBank,drug,NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,DRUG_4283
4284,4284,4284,4284,4284,4284,4284,4284,DB02359,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine",DrugBank,drug,CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12,DRUG_4284
4285,4285,4285,4285,4285,4285,4285,4285,DB07537,"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide",DrugBank,drug,CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1,DRUG_4285
4286,4286,4286,4286,4286,4286,4286,4286,DB13654,Montmorillonite,DrugBank,drug,O.[O--].[O--].[O--].[Al+3].[Al+3].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O,DRUG_4286
4287,4287,4287,4287,4287,4287,4287,4287,DB09199,Netoglitazone,DrugBank,drug,FC1=C(COC2=CC=C3C=C(CC4SC(=O)NC4=O)C=CC3=C2)C=CC=C1,DRUG_4287
4288,4288,4288,4288,4288,4288,4288,4288,DB07879,"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide",DrugBank,drug,ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1,DRUG_4288
4289,4289,4289,4289,4289,4289,4289,4289,DB09326,Ammonia N-13,DrugBank,drug,[13NH3],DRUG_4289
4290,4290,4290,4290,4290,4290,4290,4290,DB07288,N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide,DrugBank,drug,ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1,DRUG_4290
4291,4291,4291,4291,4291,4291,4291,4291,DB07369,"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide",DrugBank,drug,CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1,DRUG_4291
4292,4292,4292,4292,4292,4292,4292,4292,DB00766,Clavulanic acid,DrugBank,drug,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO,DRUG_4292
4293,4293,4293,4293,4293,4293,4293,4293,DB02659,Cholic Acid,DrugBank,drug,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,DRUG_4293
4294,4294,4294,4294,4294,4294,4294,4294,DB00472,Fluoxetine,DrugBank,drug,CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,DRUG_4294
4295,4295,4295,4295,4295,4295,4295,4295,DB04003,{4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid,DrugBank,drug,[H]N([H])C(=O)C1=C(OCC2CCCCC2)C=CC(=C1)[C@H](C)N([H])C(=O)[C@H](CC1=CC(=C(OCC(O)=O)C=C1)P(O)(O)=O)N([H])C(C)=O,DRUG_4295
4296,4296,4296,4296,4296,4296,4296,4296,DB04938,Ospemifene,DrugBank,drug,OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,DRUG_4296
4297,4297,4297,4297,4297,4297,4297,4297,DB08867,Ulipristal,DrugBank,drug,CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12,DRUG_4297
4298,4298,4298,4298,4298,4298,4298,4298,DB11930,Varlilumab,DrugBank,drug,,DRUG_4298
4299,4299,4299,4299,4299,4299,4299,4299,DB01842,3'-Phosphate-Adenosine-5'-Diphosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,DRUG_4299
4300,4300,4300,4300,4300,4300,4300,4300,DB09104,Magnesium hydroxide,DrugBank,drug,[OH-].[OH-].[Mg++],DRUG_4300
4301,4301,4301,4301,4301,4301,4301,4301,DB12459,Belotecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=CC1=C3CCNC(C)C)C2=O,DRUG_4301
4302,4302,4302,4302,4302,4302,4302,4302,DB08054,"1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DrugBank,drug,CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CN=C2C=C1,DRUG_4302
4303,4303,4303,4303,4303,4303,4303,4303,DB05219,Crisaborole,DrugBank,drug,OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2,DRUG_4303
4304,4304,4304,4304,4304,4304,4304,4304,DB08530,"7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE",DrugBank,drug,CN1C2=C(N(CC3=CC=CC=C3)C(=N2)N2CC[NH2+]CC2)C(=O)N(C)C1=O,DRUG_4304
4305,4305,4305,4305,4305,4305,4305,4305,DB01450,Dihydroetorphine,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)CCC,DRUG_4305
4306,4306,4306,4306,4306,4306,4306,4306,DB06529,Ocinaplon,DrugBank,drug,O=C(C1=C2N=CC=C(N2N=C1)C1=CC=NC=C1)C1=CC=CC=N1,DRUG_4306
4307,4307,4307,4307,4307,4307,4307,4307,DB09110,Coenzyme M,DrugBank,drug,OS(=O)(=O)CCS,DRUG_4307
4308,4308,4308,4308,4308,4308,4308,4308,DB00522,Bentiromide,DrugBank,drug,OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1,DRUG_4308
4309,4309,4309,4309,4309,4309,4309,4309,DB12816,Terpinen-4-ol,DrugBank,drug,CC(C)C1(O)CCC(C)=CC1,DRUG_4309
4310,4310,4310,4310,4310,4310,4310,4310,DB05662,NP-50301,DrugBank,drug,,DRUG_4310
4311,4311,4311,4311,4311,4311,4311,4311,DB07734,N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide,DrugBank,drug,SCCCC(=O)NC1CCN(CC2=CC=CC=C2)CC1,DRUG_4311
4312,4312,4312,4312,4312,4312,4312,4312,DB12838,Tetrasul,DrugBank,drug,ClC1=CC=C(SC2=C(Cl)C=C(Cl)C(Cl)=C2)C=C1,DRUG_4312
4313,4313,4313,4313,4313,4313,4313,4313,DB08658,Ethyl hydrogen diethylamidophosphate,DrugBank,drug,CCO[P@](O)(=O)N(CC)CC,DRUG_4313
4314,4314,4314,4314,4314,4314,4314,4314,DB07484,"(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid",DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(CC(O)(O)C[N+]([O-])=O)C(O)=O,DRUG_4314
4315,4315,4315,4315,4315,4315,4315,4315,DB05096,LY2140023,DrugBank,drug,,DRUG_4315
4316,4316,4316,4316,4316,4316,4316,4316,DB12010,Fostamatinib,DrugBank,drug,COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC,DRUG_4316
4317,4317,4317,4317,4317,4317,4317,4317,DB07252,"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,DRUG_4317
4318,4318,4318,4318,4318,4318,4318,4318,DB01626,Pargyline,DrugBank,drug,CN(CC#C)CC1=CC=CC=C1,DRUG_4318
4319,4319,4319,4319,4319,4319,4319,4319,DB11366,Roquinimex,DrugBank,drug,CN(C(=O)C1=C(O)C2=C(C=CC=C2)N(C)C1=O)C1=CC=CC=C1,DRUG_4319
4320,4320,4320,4320,4320,4320,4320,4320,DB12779,Higenamine,DrugBank,drug,OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1,DRUG_4320
4321,4321,4321,4321,4321,4321,4321,4321,DB08961,Azosemide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CS2)C(=C1)C1=NNN=N1,DRUG_4321
4322,4322,4322,4322,4322,4322,4322,4322,DB11401,Efrotomycin,DrugBank,drug,[H]\C(C)=C(\[H])/C(/[H])=C(\[H])C1OC(O)(C(CC)C(O)=NC\C([H])=C(/[H])\C(\[H])=C(/C)C(OC)C(C)C2OC(\C([H])=C(/[H])\C(\[H])=C(/[H])C([H])=C(C)C(\O)=C3\C(=O)C=CN(C)C3=O)C(O)C2O)C(O)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1(C)C,DRUG_4322
4323,4323,4323,4323,4323,4323,4323,4323,DB08957,Hexoprenaline,DrugBank,drug,OC(CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1,DRUG_4323
4324,4324,4324,4324,4324,4324,4324,4324,DB13367,Cloricromen,DrugBank,drug,CCOC(=O)COC1=CC=C2C(C)=C(CCN(CC)CC)C(=O)OC2=C1Cl,DRUG_4324
4325,4325,4325,4325,4325,4325,4325,4325,DB06360,Lucatumumab,DrugBank,drug,,DRUG_4325
4326,4326,4326,4326,4326,4326,4326,4326,DB17507,COTI-2,DrugBank,drug,S=C(N\N=C1/CCCC2=C1N=CC=C2)N1CCN(CC1)C1=CC=CC=N1,DRUG_4326
4327,4327,4327,4327,4327,4327,4327,4327,DB08766,Zofenoprilat,DrugBank,drug,C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,DRUG_4327
4328,4328,4328,4328,4328,4328,4328,4328,DB11199,Sage oil,DrugBank,drug,,DRUG_4328
4329,4329,4329,4329,4329,4329,4329,4329,DB04125,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine,DrugBank,drug,CC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,DRUG_4329
4330,4330,4330,4330,4330,4330,4330,4330,DB06505,MLN3897,DrugBank,drug,CC(C)(O)C1=CC=C2OCC3=C(C=CC=N3)\C(=C/CCN3CC[C@](O)(C4=CC=C(Cl)C=C4)C(C)(C)C3)C2=C1,DRUG_4330
4331,4331,4331,4331,4331,4331,4331,4331,DB12021,Dinaciclib,DrugBank,drug,CCC1=C2N=C(C=C(NCC3=CC=C[N+]([O-])=C3)N2N=C1)N1CCCC[C@H]1CCO,DRUG_4331
4332,4332,4332,4332,4332,4332,4332,4332,DB04959,Verpasep caltespen,DrugBank,drug,,DRUG_4332
4333,4333,4333,4333,4333,4333,4333,4333,DB01524,Androstenediol,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,DRUG_4333
4334,4334,4334,4334,4334,4334,4334,4334,DB14034,Darglitazone,DrugBank,drug,CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1,DRUG_4334
4335,4335,4335,4335,4335,4335,4335,4335,DB13949,Ferric cation,DrugBank,drug,[Fe+3],DRUG_4335
4336,4336,4336,4336,4336,4336,4336,4336,DB07486,"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline",DrugBank,drug,NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1,DRUG_4336
4337,4337,4337,4337,4337,4337,4337,4337,DB02107,Leucine - Reduced Carbonyl,DrugBank,drug,CC(C)C[C@@H](C)N,DRUG_4337
4338,4338,4338,4338,4338,4338,4338,4338,DB12471,Ibrexafungerp,DrugBank,drug,[H][C@]12CC[C@@]3([H])[C@@]4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)(C)C)N3N=CN=C3C3=CC=NC=C3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C,DRUG_4338
4339,4339,4339,4339,4339,4339,4339,4339,DB07257,"4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione",DrugBank,drug,CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl,DRUG_4339
4340,4340,4340,4340,4340,4340,4340,4340,DB15395,Elranatamab,DrugBank,drug,,DRUG_4340
4341,4341,4341,4341,4341,4341,4341,4341,DB01393,Bezafibrate,DrugBank,drug,CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O,DRUG_4341
4342,4342,4342,4342,4342,4342,4342,4342,DB08399,Piceatannol,DrugBank,drug,OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1,DRUG_4342
4343,4343,4343,4343,4343,4343,4343,4343,DB02445,2-Deoxy-2-Amino Glucitol-6-Phosphate,DrugBank,drug,[H][C@](N)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,DRUG_4343
4344,4344,4344,4344,4344,4344,4344,4344,DB12210,AZD-6280,DrugBank,drug,CCCNC(=O)C1=NN=C2C(=CC=CC2=C1N)C1=CC(OC)=CC=C1OC,DRUG_4344
4345,4345,4345,4345,4345,4345,4345,4345,DB00086,Streptokinase,DrugBank,drug,,DRUG_4345
4346,4346,4346,4346,4346,4346,4346,4346,DB11718,Encorafenib,DrugBank,drug,COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C,DRUG_4346
4347,4347,4347,4347,4347,4347,4347,4347,DB06742,Ambroxol,DrugBank,drug,NC1=C(Br)C=C(Br)C=C1CN[C@H]1CC[C@H](O)CC1,DRUG_4347
4348,4348,4348,4348,4348,4348,4348,4348,DB04905,Tesmilifene,DrugBank,drug,CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1,DRUG_4348
4349,4349,4349,4349,4349,4349,4349,4349,DB09401,Isosorbide,DrugBank,drug,[H][C@]1(O)CO[C@]2([H])[C@]([H])(O)CO[C@]12[H],DRUG_4349
4350,4350,4350,4350,4350,4350,4350,4350,DB13809,Paclitaxel poliglumex,DrugBank,drug,,DRUG_4350
4351,4351,4351,4351,4351,4351,4351,4351,DB04372,L-Dilinoleoyllecithin,DrugBank,drug,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,DRUG_4351
4352,4352,4352,4352,4352,4352,4352,4352,DB06195,Seliciclib,DrugBank,drug,CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1,DRUG_4352
4353,4353,4353,4353,4353,4353,4353,4353,DB07225,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE",DrugBank,drug,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,DRUG_4353
4354,4354,4354,4354,4354,4354,4354,4354,DB11805,Saracatinib,DrugBank,drug,CN1CCN(CCOC2=CC3=C(C(NC4=C(Cl)C=CC5=C4OCO5)=NC=N3)C(OC3CCOCC3)=C2)CC1,DRUG_4354
4355,4355,4355,4355,4355,4355,4355,4355,DB04839,Cyproterone acetate,DrugBank,drug,[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H],DRUG_4355
4356,4356,4356,4356,4356,4356,4356,4356,DB08249,"3,6,9,12,15-PENTAOXATRICOSAN-1-OL",DrugBank,drug,CCCCCCCCOCCOCCOCCOCCOCCO,DRUG_4356
4357,4357,4357,4357,4357,4357,4357,4357,DB15123,Dorzagliatin,DrugBank,drug,CC(C)C[C@H](N1CC(OC2=C(Cl)C=CC=C2)=CC1=O)C(=O)NC1=NN(C[C@@H](O)CO)C=C1,DRUG_4357
4358,4358,4358,4358,4358,4358,4358,4358,DB07755,"(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DrugBank,drug,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,DRUG_4358
4359,4359,4359,4359,4359,4359,4359,4359,DB03423,S-Adenosyl-L-Homoselenocysteine,DrugBank,drug,[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O,DRUG_4359
4360,4360,4360,4360,4360,4360,4360,4360,DB12924,Ozenoxacin,DrugBank,drug,CNC1=NC=C(C=C1C)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1C)C(O)=O,DRUG_4360
4361,4361,4361,4361,4361,4361,4361,4361,DB04879,Vatalanib,DrugBank,drug,ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1,DRUG_4361
4362,4362,4362,4362,4362,4362,4362,4362,DB01628,Etoricoxib,DrugBank,drug,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O,DRUG_4362
4363,4363,4363,4363,4363,4363,4363,4363,DB12177,Eplivanserin,DrugBank,drug,CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F,DRUG_4363
4364,4364,4364,4364,4364,4364,4364,4364,DB00910,Paricalcitol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O,DRUG_4364
4365,4365,4365,4365,4365,4365,4365,4365,DB07718,4-Hydroxyphenylpyruvic acid,DrugBank,drug,OC(=O)C(=O)CC1=CC=C(O)C=C1,DRUG_4365
4366,4366,4366,4366,4366,4366,4366,4366,DB16232,Milciclib Maleate,DrugBank,drug,CNC(=O)C1=NN(C)C2=C1C(C)(C)CC1=C2N=C(NC2=CC=C(C=C2)N2CCN(C)CC2)N=C1,DRUG_4366
4367,4367,4367,4367,4367,4367,4367,4367,DB03381,Hexadecanal,DrugBank,drug,CCCCCCCCCCCCCCCC=O,DRUG_4367
4368,4368,4368,4368,4368,4368,4368,4368,DB12302,CP-724714,DrugBank,drug,COCC(=O)NC\C=C\C1=CC=C2N=CN=C(NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1,DRUG_4368
4369,4369,4369,4369,4369,4369,4369,4369,DB03682,"Dibenzofuran-4,6-Dicarboxylic Acid",DrugBank,drug,OC(=O)C1=CC=CC2=C1OC1=C2C=CC=C1C(O)=O,DRUG_4369
4370,4370,4370,4370,4370,4370,4370,4370,DB14569,Tedizolid,DrugBank,drug,CN1N=NC(=N1)C1=NC=C(C=C1)C1=C(F)C=C(C=C1)N1C[C@H](CO)OC1=O,DRUG_4370
4371,4371,4371,4371,4371,4371,4371,4371,DB06311,Darapladib,DrugBank,drug,CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C2=C(CCC2)C(=O)N=C1SCC1=CC=C(F)C=C1,DRUG_4371
4372,4372,4372,4372,4372,4372,4372,4372,DB12046,Atopaxar,DrugBank,drug,CCOC1=CC2=C(C(=N)N(CC(=O)C3=CC(=C(OC)C(=C3)N3CCOCC3)C(C)(C)C)C2)C(F)=C1OCC,DRUG_4372
4373,4373,4373,4373,4373,4373,4373,4373,DB08822,Azilsartan medoxomil,DrugBank,drug,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1,DRUG_4373
4374,4374,4374,4374,4374,4374,4374,4374,DB04751,Purvalanol A,DrugBank,drug,[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C,DRUG_4374
4375,4375,4375,4375,4375,4375,4375,4375,DB06793,Levopropoxyphene,DrugBank,drug,[H][C@](C)(CN(C)C)[C@@](CC1=CC=CC=C1)(OC(=O)CC)C1=CC=CC=C1,DRUG_4375
4376,4376,4376,4376,4376,4376,4376,4376,DB12769,Lometrexol,DrugBank,drug,NC1=NC(=O)C2=C(NC[C@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2)N1,DRUG_4376
4377,4377,4377,4377,4377,4377,4377,4377,DB19397,AZD8630,DrugBank,drug,,DRUG_4377
4378,4378,4378,4378,4378,4378,4378,4378,DB01418,Acenocoumarol,DrugBank,drug,CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O,DRUG_4378
4379,4379,4379,4379,4379,4379,4379,4379,DB00277,Theophylline,DrugBank,drug,CN1C2=C(NC=N2)C(=O)N(C)C1=O,DRUG_4379
4380,4380,4380,4380,4380,4380,4380,4380,DB08934,Sofosbuvir,DrugBank,drug,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)OC1=CC=CC=C1,DRUG_4380
4381,4381,4381,4381,4381,4381,4381,4381,DB00635,Prednisone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4381
4382,4382,4382,4382,4382,4382,4382,4382,DB00911,Tinidazole,DrugBank,drug,CCS(=O)(=O)CCN1C(C)=NC=C1[N+]([O-])=O,DRUG_4382
4383,4383,4383,4383,4383,4383,4383,4383,DB00119,Pyruvic acid,DrugBank,drug,CC(=O)C(O)=O,DRUG_4383
4384,4384,4384,4384,4384,4384,4384,4384,DB19218,Camizestrant,DrugBank,drug,C[C@@H]1CC2=C3C=NNC3=CC=C2[C@H](N1CC(F)(F)F)C1=CC=C(NC2CN(CCCF)C2)C=N1,DRUG_4384
4385,4385,4385,4385,4385,4385,4385,4385,DB15566,Prednisolone acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4385
4386,4386,4386,4386,4386,4386,4386,4386,DB01495,Dichloralphenazone,DrugBank,drug,OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C1=CC=CC=C1,DRUG_4386
4387,4387,4387,4387,4387,4387,4387,4387,DB08102,"3,5-dibromobiphenyl-4-ol",DrugBank,drug,OC1=C(Br)C=C(C=C1Br)C1=CC=CC=C1,DRUG_4387
4388,4388,4388,4388,4388,4388,4388,4388,DB11984,Letaxaban,DrugBank,drug,O[C@H](CS(=O)(=O)C1=CC=C2C=C(Cl)C=CC2=C1)C(=O)N1CCC(CC1)N1CCCNC1=O,DRUG_4388
4389,4389,4389,4389,4389,4389,4389,4389,DB12539,Oltipraz,DrugBank,drug,CC1=C(SSC1=S)C1=CN=CC=N1,DRUG_4389
4390,4390,4390,4390,4390,4390,4390,4390,DB08763,[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE,DrugBank,drug,[H][C@](NC(=O)OCC1=CC=CC=C1)(C1=CC=C(C=C1)C(N)=N)P(O)(O)=O,DRUG_4390
4391,4391,4391,4391,4391,4391,4391,4391,DB14751,Mecasermin rinfabate,DrugBank,drug,,DRUG_4391
4392,4392,4392,4392,4392,4392,4392,4392,DB00109,Enfuvirtide,DrugBank,drug,,DRUG_4392
4393,4393,4393,4393,4393,4393,4393,4393,DB01961,Cytidine 3'-monophosphate,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O,DRUG_4393
4394,4394,4394,4394,4394,4394,4394,4394,DB03035,"1,8-Di-Hydroxy-4-Nitro-Anthraquinone",DrugBank,drug,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O,DRUG_4394
4395,4395,4395,4395,4395,4395,4395,4395,DB07243,"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE",DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C,DRUG_4395
4396,4396,4396,4396,4396,4396,4396,4396,DB12050,LY-3039478,DrugBank,drug,C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C2=CC=CN=C2N(CCO)C1=O,DRUG_4396
4397,4397,4397,4397,4397,4397,4397,4397,DB03298,Phenylphosphate,DrugBank,drug,OP(O)(=O)OC1=CC=CC=C1,DRUG_4397
4398,4398,4398,4398,4398,4398,4398,4398,DB14984,Casimersen,DrugBank,drug,,DRUG_4398
4399,4399,4399,4399,4399,4399,4399,4399,DB06684,Vilazodone,DrugBank,drug,NC(=O)C1=CC2=CC(=CC=C2O1)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1,DRUG_4399
4400,4400,4400,4400,4400,4400,4400,4400,DB15624,Halicin,DrugBank,drug,NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1,DRUG_4400
4401,4401,4401,4401,4401,4401,4401,4401,DB14845,Filgotinib,DrugBank,drug,O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1,DRUG_4401
4402,4402,4402,4402,4402,4402,4402,4402,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",DrugBank,drug,[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C,DRUG_4402
4403,4403,4403,4403,4403,4403,4403,4403,DB13989,Epitizide,DrugBank,drug,NS(=O)(=O)C1=CC2=C(NC(CSCC(F)(F)F)NS2(=O)=O)C=C1Cl,DRUG_4403
4404,4404,4404,4404,4404,4404,4404,4404,DB00956,Hydrocodone,DrugBank,drug,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,DRUG_4404
4405,4405,4405,4405,4405,4405,4405,4405,DB04055,"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium",DrugBank,drug,CC[N+]1=C(C)C(C(=O)OC(C)C)=C(C2=CC=CC=C2Cl)C(C(O)=O)=C1C(O)=O,DRUG_4405
4406,4406,4406,4406,4406,4406,4406,4406,DB01190,Clindamycin,DrugBank,drug,[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,DRUG_4406
4407,4407,4407,4407,4407,4407,4407,4407,DB07076,6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE,DrugBank,drug,NC(=N)C1=CC2=CC=C(C=C2C=C1)C(=O)NC1=CC=CC(OC2CCCC2)=C1,DRUG_4407
4408,4408,4408,4408,4408,4408,4408,4408,DB01256,Retapamulin,DrugBank,drug,[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C,DRUG_4408
4409,4409,4409,4409,4409,4409,4409,4409,DB11328,Tetradecyl hydrogen sulfate (ester),DrugBank,drug,CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O,DRUG_4409
4410,4410,4410,4410,4410,4410,4410,4410,DB02423,Thiopyrophosphate,DrugBank,drug,OP(O)(=O)OP(O)([O-])=S,DRUG_4410
4411,4411,4411,4411,4411,4411,4411,4411,DB08165,indane-5-sulfonamide,DrugBank,drug,NS(=O)(=O)C1=CC=C2CCCC2=C1,DRUG_4411
4412,4412,4412,4412,4412,4412,4412,4412,DB04230,Nitromethyldethia coenzyme A,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_4412
4413,4413,4413,4413,4413,4413,4413,4413,DB14726,Dabigatran,DrugBank,drug,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=NC=CC=C1,DRUG_4413
4414,4414,4414,4414,4414,4414,4414,4414,DB18715,Tolebrutinib,DrugBank,drug,NC1=C2N(C(=O)N([C@@H]3CCCN(C3)C(=O)C=C)C2=CC=N1)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_4414
4415,4415,4415,4415,4415,4415,4415,4415,DB16167,Fisogatinib,DrugBank,drug,COC1=CC(OC)=C(Cl)C(=C1Cl)C1=CC2=CN=C(N[C@@H]3COCC[C@@H]3NC(=O)C=C)N=C2C=C1,DRUG_4415
4416,4416,4416,4416,4416,4416,4416,4416,DB11133,Omega-3 fatty acids,DrugBank,drug,,DRUG_4416
4417,4417,4417,4417,4417,4417,4417,4417,DB06883,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea,DrugBank,drug,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1,DRUG_4417
4418,4418,4418,4418,4418,4418,4418,4418,DB07031,"3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid",DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,DRUG_4418
4419,4419,4419,4419,4419,4419,4419,4419,DB04701,S-Methyl glutathione,DrugBank,drug,CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,DRUG_4419
4420,4420,4420,4420,4420,4420,4420,4420,DB02491,4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine,DrugBank,drug,CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl,DRUG_4420
4421,4421,4421,4421,4421,4421,4421,4421,DB09303,Evolocumab,DrugBank,drug,,DRUG_4421
4422,4422,4422,4422,4422,4422,4422,4422,DB01972,Guanosine-5'-Monophosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_4422
4423,4423,4423,4423,4423,4423,4423,4423,DB08942,Isoxicam,DrugBank,drug,CN1C(C(=O)NC2=NOC(C)=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,DRUG_4423
4424,4424,4424,4424,4424,4424,4424,4424,DB12062,Volasertib,DrugBank,drug,CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O,DRUG_4424
4425,4425,4425,4425,4425,4425,4425,4425,DB13752,Tetramethrin,DrugBank,drug,CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C,DRUG_4425
4426,4426,4426,4426,4426,4426,4426,4426,DB01767,Hemi-Babim,DrugBank,drug,NC(=N)C1=CC2=C(NC(CC3=NC4=C(N3)C=CC=C4)=N2)C=C1,DRUG_4426
4427,4427,4427,4427,4427,4427,4427,4427,DB14473,Beroctocog alfa,DrugBank,drug,,DRUG_4427
4428,4428,4428,4428,4428,4428,4428,4428,DB00762,Irinotecan,DrugBank,drug,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12,DRUG_4428
4429,4429,4429,4429,4429,4429,4429,4429,DB08599,N-[(4-methoxyphenyl)sulfonyl]-D-alanine,DrugBank,drug,[H][C@](C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(O)=O,DRUG_4429
4430,4430,4430,4430,4430,4430,4430,4430,DB15167,Fallypride,DrugBank,drug,COC1=C(OC)C(=CC(CCCF)=C1)C(=O)NC[C@@H]1CCCN1CC=C,DRUG_4430
4431,4431,4431,4431,4431,4431,4431,4431,DB01839,Propylene glycol,DrugBank,drug,CC(O)CO,DRUG_4431
4432,4432,4432,4432,4432,4432,4432,4432,DB11365,Sennosides,DrugBank,drug,OCC1OC(OC2=C3C(=O)C4=C(C=C(C=C4O)C(O)=O)C(C4C5=CC=CC(OC6OC(CO)C(O)C(O)C6O)=C5C(=O)C5=C4C=C(C=C5O)C(O)=O)C3=CC=C2)C(O)C(O)C1O,DRUG_4432
4433,4433,4433,4433,4433,4433,4433,4433,DB15694,Cedazuridine,DrugBank,drug,OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O,DRUG_4433
4434,4434,4434,4434,4434,4434,4434,4434,DB08273,4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,DrugBank,drug,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1I)[N+]([O-])=O,DRUG_4434
4435,4435,4435,4435,4435,4435,4435,4435,DB12228,Telcagepant,DrugBank,drug,FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1,DRUG_4435
4436,4436,4436,4436,4436,4436,4436,4436,DB09152,Nitrogen,DrugBank,drug,N#N,DRUG_4436
4437,4437,4437,4437,4437,4437,4437,4437,DB11429,Mibolerone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],DRUG_4437
4438,4438,4438,4438,4438,4438,4438,4438,DB03207,"2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid",DrugBank,drug,[H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O,DRUG_4438
4439,4439,4439,4439,4439,4439,4439,4439,DB16739,MK-886,DrugBank,drug,CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1,DRUG_4439
4440,4440,4440,4440,4440,4440,4440,4440,DB11520,Hygromycin B,DrugBank,drug,[H][C@@]12OC3(O[C@]1([H])[C@H](O[C@]1([H])[C@@H](O)[C@H](N)C[C@H](NC)[C@H]1O)O[C@H](CO)[C@@H]2O)O[C@]([H])([C@@H](N)CO)[C@H](O)[C@H](O)[C@H]3O,DRUG_4440
4441,4441,4441,4441,4441,4441,4441,4441,DB11428,Medetomidine,DrugBank,drug,CC(C1=CN=CN1)C1=CC=CC(C)=C1C,DRUG_4441
4442,4442,4442,4442,4442,4442,4442,4442,DB00001,Lepirudin,DrugBank,drug,,DRUG_4442
4443,4443,4443,4443,4443,4443,4443,4443,DB14570,Hydroxyprogesterone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_4443
4444,4444,4444,4444,4444,4444,4444,4444,DB03486,Phosphomethylphosphonic acid guanosyl ester,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_4444
4445,4445,4445,4445,4445,4445,4445,4445,DB03417,"(2S,3R)-2-[[4-(Tert-butylcarbamoyl)piperazine-1-carbonyl]amino]-6-(diaminomethylideneamino)-3-formylhexanoic acid",DrugBank,drug,[H]N([H])C(=NCCC[C@@H](C=O)[C@H](N([H])C(=O)N1CCN(CC1)C(=O)N([H])C(C)(C)C)C(O)=O)N([H])[H],DRUG_4445
4446,4446,4446,4446,4446,4446,4446,4446,DB02983,Para-Mercury-Benzenesulfonic Acid,DrugBank,drug,OS(=O)(=O)C1=CC=C([Hg])C=C1,DRUG_4446
4447,4447,4447,4447,4447,4447,4447,4447,DB00294,Etonogestrel,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_4447
4448,4448,4448,4448,4448,4448,4448,4448,DB00031,Tenecteplase,DrugBank,drug,,DRUG_4448
4449,4449,4449,4449,4449,4449,4449,4449,DB11664,Psilocybin,DrugBank,drug,CN(C)CCC1=CNC2=C1C(OP(O)(O)=O)=CC=C2,DRUG_4449
4450,4450,4450,4450,4450,4450,4450,4450,DB08535,"3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1,DRUG_4450
4451,4451,4451,4451,4451,4451,4451,4451,DB02509,Farnesol,DrugBank,drug,CC(C)=CCC\C(C)=C/CC\C(C)=C/CO,DRUG_4451
4452,4452,4452,4452,4452,4452,4452,4452,DB13653,Lorcainide,DrugBank,drug,CC(C)N1CCC(CC1)N(C(=O)CC1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_4452
4453,4453,4453,4453,4453,4453,4453,4453,DB01013,Clobetasol propionate,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4453
4454,4454,4454,4454,4454,4454,4454,4454,DB15941,Casirivimab,DrugBank,drug,,DRUG_4454
4455,4455,4455,4455,4455,4455,4455,4455,DB00557,Hydroxyzine,DrugBank,drug,OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_4455
4456,4456,4456,4456,4456,4456,4456,4456,DB18865,Naporafenib,DrugBank,drug,CC1=CC=C(NC(=O)C2=CC=NC(=C2)C(F)(F)F)C=C1C1=CC(OCCO)=NC(=C1)N1CCOCC1,DRUG_4456
4457,4457,4457,4457,4457,4457,4457,4457,DB02201,Malonate Ion,DrugBank,drug,[O-]C(=O)CC([O-])=O,DRUG_4457
4458,4458,4458,4458,4458,4458,4458,4458,DB06109,YKP-1358,DrugBank,drug,,DRUG_4458
4459,4459,4459,4459,4459,4459,4459,4459,DB13764,Monoxerutin,DrugBank,drug,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,DRUG_4459
4460,4460,4460,4460,4460,4460,4460,4460,DB09120,Zucapsaicin,DrugBank,drug,COC1=C(O)C=CC(CNC(=O)CCCC\C=C/C(C)C)=C1,DRUG_4460
4461,4461,4461,4461,4461,4461,4461,4461,DB01462,Etonitazene,DrugBank,drug,CCOC1=CC=C(CC2=NC3=C(C=CC(=C3)[N+]([O-])=O)N2CCN(CC)CC)C=C1,DRUG_4461
4462,4462,4462,4462,4462,4462,4462,4462,DB14443,Vibrio cholerae CVD 103-HgR strain live antigen,DrugBank,drug,,DRUG_4462
4463,4463,4463,4463,4463,4463,4463,4463,DB13803,Xipamide,DrugBank,drug,CC1=CC=CC(C)=C1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O,DRUG_4463
4464,4464,4464,4464,4464,4464,4464,4464,DB06404,Human C1-esterase inhibitor,DrugBank,drug,,DRUG_4464
4465,4465,4465,4465,4465,4465,4465,4465,DB16128,Crovalimab,DrugBank,drug,,DRUG_4465
4466,4466,4466,4466,4466,4466,4466,4466,DB13924,Varicella zoster vaccine (recombinant),DrugBank,drug,,DRUG_4466
4467,4467,4467,4467,4467,4467,4467,4467,DB00087,Alemtuzumab,DrugBank,drug,,DRUG_4467
4468,4468,4468,4468,4468,4468,4468,4468,DB00682,Warfarin,DrugBank,drug,CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_4468
4469,4469,4469,4469,4469,4469,4469,4469,DB13211,Guanoxan,DrugBank,drug,NC(=N)NCC1COC2=C(O1)C=CC=C2,DRUG_4469
4470,4470,4470,4470,4470,4470,4470,4470,DB01412,Theobromine,DrugBank,drug,CN1C=NC2=C1C(=O)NC(=O)N2C,DRUG_4470
4471,4471,4471,4471,4471,4471,4471,4471,DB03226,Trifluoroethanol,DrugBank,drug,OCC(F)(F)F,DRUG_4471
4472,4472,4472,4472,4472,4472,4472,4472,DB08347,4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile,DrugBank,drug,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CC(=N2)C#N,DRUG_4472
4473,4473,4473,4473,4473,4473,4473,4473,DB01207,Ridogrel,DrugBank,drug,OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F,DRUG_4473
4474,4474,4474,4474,4474,4474,4474,4474,DB03849,Cilomilast,DrugBank,drug,COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N,DRUG_4474
4475,4475,4475,4475,4475,4475,4475,4475,DB01043,Memantine,DrugBank,drug,CC12CC3CC(C)(C1)CC(N)(C3)C2,DRUG_4475
4476,4476,4476,4476,4476,4476,4476,4476,DB00345,Aminohippuric acid,DrugBank,drug,NC1=CC=C(C=C1)C(=O)NCC(O)=O,DRUG_4476
4477,4477,4477,4477,4477,4477,4477,4477,DB06083,Tapinarof,DrugBank,drug,CC(C)C1=C(O)C=C(\C=C\C2=CC=CC=C2)C=C1O,DRUG_4477
4478,4478,4478,4478,4478,4478,4478,4478,DB12726,Monteplase,DrugBank,drug,,DRUG_4478
4479,4479,4479,4479,4479,4479,4479,4479,DB02545,Fexaramine,DrugBank,drug,COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1,DRUG_4479
4480,4480,4480,4480,4480,4480,4480,4480,DB15460,AGG-523,DrugBank,drug,CC(C)(CC1=CC=C(F)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_4480
4481,4481,4481,4481,4481,4481,4481,4481,DB09090,Pinaverium,DrugBank,drug,COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1,DRUG_4481
4482,4482,4482,4482,4482,4482,4482,4482,DB16240,BMS-813160,DrugBank,drug,CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC2=NC=NC3=CC(=NN23)C(C)(C)C)C1=O)NC(C)(C)C,DRUG_4482
4483,4483,4483,4483,4483,4483,4483,4483,DB07377,"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE",DrugBank,drug,[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1,DRUG_4483
4484,4484,4484,4484,4484,4484,4484,4484,DB11755,Tetrahydrocannabivarin,DrugBank,drug,CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1,DRUG_4484
4485,4485,4485,4485,4485,4485,4485,4485,DB04132,S-Hexylglutathione,DrugBank,drug,CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,DRUG_4485
4486,4486,4486,4486,4486,4486,4486,4486,DB05942,GI-5005,DrugBank,drug,,DRUG_4486
4487,4487,4487,4487,4487,4487,4487,4487,DB11404,Enrofloxacin,DrugBank,drug,CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,DRUG_4487
4488,4488,4488,4488,4488,4488,4488,4488,DB07494,"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE",DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C,DRUG_4488
4489,4489,4489,4489,4489,4489,4489,4489,DB11689,Selumetinib,DrugBank,drug,CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO,DRUG_4489
4490,4490,4490,4490,4490,4490,4490,4490,DB04852,Implitapide,DrugBank,drug,CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1,DRUG_4490
4491,4491,4491,4491,4491,4491,4491,4491,DB12675,PF-04995274,DrugBank,drug,OC1(CN2CCC(COC3=NOC4=CC=CC(O[C@@H]5CCOC5)=C34)CC2)CCOCC1,DRUG_4491
4492,4492,4492,4492,4492,4492,4492,4492,DB03020,5-beta-D-ribofuranosylnicotinamide adenine dinucleotide,DrugBank,drug,NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,DRUG_4492
4493,4493,4493,4493,4493,4493,4493,4493,DB14809,Anetumab ravtansine,DrugBank,drug,,DRUG_4493
4494,4494,4494,4494,4494,4494,4494,4494,DB00699,Nicergoline,DrugBank,drug,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CN=CC(Br)=C1)CN2C)OC,DRUG_4494
4495,4495,4495,4495,4495,4495,4495,4495,DB09258,Bemiparin,DrugBank,drug,,DRUG_4495
4496,4496,4496,4496,4496,4496,4496,4496,DB13302,Hachimycin,DrugBank,drug,,DRUG_4496
4497,4497,4497,4497,4497,4497,4497,4497,DB08179,"methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate",DrugBank,drug,COC(=O)C1=C(C)C=C(OC2=C(O)C(O)=CC(C)=C2)C=C1O,DRUG_4497
4498,4498,4498,4498,4498,4498,4498,4498,DB08222,METHOXYUNDECYLPHOSPHINIC ACID,DrugBank,drug,CCCCCCCCCCC[P@@](O)(=O)OC,DRUG_4498
4499,4499,4499,4499,4499,4499,4499,4499,DB08645,"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE",DrugBank,drug,[H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl,DRUG_4499
4500,4500,4500,4500,4500,4500,4500,4500,DB07077,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine",DrugBank,drug,NC(N)=NC1=CC=C(C=C1)B1OC[C@@H](CO)O1,DRUG_4500
4501,4501,4501,4501,4501,4501,4501,4501,DB08356,"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol",DrugBank,drug,COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1,DRUG_4501
4502,4502,4502,4502,4502,4502,4502,4502,DB11645,PF-4191834,DrugBank,drug,CN1N=CC=C1C1=CC=C(SC2=CC=CC(=C2)C2(CCOCC2)C(N)=O)C=C1,DRUG_4502
4503,4503,4503,4503,4503,4503,4503,4503,DB14532,Zinc cation,DrugBank,drug,[Zn++],DRUG_4503
4504,4504,4504,4504,4504,4504,4504,4504,DB00312,Pentobarbital,DrugBank,drug,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,DRUG_4504
4505,4505,4505,4505,4505,4505,4505,4505,DB16050,FF-10101-01,DrugBank,drug,CCCNC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)\C=C\CN(C)C,DRUG_4505
4506,4506,4506,4506,4506,4506,4506,4506,DB02556,D-Phenylalanine,DrugBank,drug,N[C@H](CC1=CC=CC=C1)C(O)=O,DRUG_4506
4507,4507,4507,4507,4507,4507,4507,4507,DB05814,GPI-1485,DrugBank,drug,CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O,DRUG_4507
4508,4508,4508,4508,4508,4508,4508,4508,DB14843,Codrituzumab,DrugBank,drug,,DRUG_4508
4509,4509,4509,4509,4509,4509,4509,4509,DB03106,scyllo-inositol,DrugBank,drug,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_4509
4510,4510,4510,4510,4510,4510,4510,4510,DB07089,N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide,DrugBank,drug,CCCOC1=CC=C(C=C1)C1=CSC(=C1CC(=O)NC(N)=N)C1=CC=CC=C1Cl,DRUG_4510
4511,4511,4511,4511,4511,4511,4511,4511,DB11537,Pirlimycin,DrugBank,drug,[H][C@@](NC(=O)[C@@H]1C[C@H](CC)CCN1)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,DRUG_4511
4512,4512,4512,4512,4512,4512,4512,4512,DB10342,Haemophilus influenzae type B capsular polysaccharide meningococcal outer membrane protein conjugate antigen,DrugBank,drug,,DRUG_4512
4513,4513,4513,4513,4513,4513,4513,4513,DB08355,"1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid",DrugBank,drug,CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2,DRUG_4513
4514,4514,4514,4514,4514,4514,4514,4514,DB04629,Aplyronine A,DrugBank,drug,COC[C@H](N(C)C)C(=O)O[C@@H]1C\C=C\C=C\C(=O)O[C@@H](C\C=C\[C@H](OC)C[C@H](C)C\C=C(C)\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O,DRUG_4514
4515,4515,4515,4515,4515,4515,4515,4515,DB11638,Artenimol,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@H](O)[C@@H]2C)O4,DRUG_4515
4516,4516,4516,4516,4516,4516,4516,4516,DB03183,"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DrugBank,drug,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1,DRUG_4516
4517,4517,4517,4517,4517,4517,4517,4517,DB00728,Rocuronium,DrugBank,drug,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1,DRUG_4517
4518,4518,4518,4518,4518,4518,4518,4518,DB06930,"N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide",DrugBank,drug,NC(=N)NC(=O)CN1C(=CC=C1C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4518
4519,4519,4519,4519,4519,4519,4519,4519,DB05552,TG100-115,DrugBank,drug,NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1,DRUG_4519
4520,4520,4520,4520,4520,4520,4520,4520,DB02712,Sorbinil,DrugBank,drug,FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1,DRUG_4520
4521,4521,4521,4521,4521,4521,4521,4521,DB03347,Triethyl phosphate,DrugBank,drug,CCOP(=O)(OCC)OCC,DRUG_4521
4522,4522,4522,4522,4522,4522,4522,4522,DB19168,Dexamethasone palmitate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)CCCCCCCCCCCCCCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4522
4523,4523,4523,4523,4523,4523,4523,4523,DB02776,1-Hexadecanosulfonic Acid,DrugBank,drug,CCCCCCCCCCCCCCCCS(O)(=O)=O,DRUG_4523
4524,4524,4524,4524,4524,4524,4524,4524,DB08429,N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide,DrugBank,drug,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC(=C1)S(C)(=O)=O)CC1=CC(Cl)=CC=C1,DRUG_4524
4525,4525,4525,4525,4525,4525,4525,4525,DB03392,"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester",DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(NP(=O)(OC)OC)[C@]1([H])O,DRUG_4525
4526,4526,4526,4526,4526,4526,4526,4526,DB02773,(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid,DrugBank,drug,CCCOC1=CC=C(CC(O)=O)C=C1Cl,DRUG_4526
4527,4527,4527,4527,4527,4527,4527,4527,DB12784,Ilginatinib,DrugBank,drug,C[C@H](NC1=CC(=CC(NC2=CN=CC=N2)=N1)C1=CN(C)N=C1)C1=CC=C(F)C=C1,DRUG_4527
4528,4528,4528,4528,4528,4528,4528,4528,DB01897,2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride,DrugBank,drug,O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\C=C\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2,DRUG_4528
4529,4529,4529,4529,4529,4529,4529,4529,DB14598,Edetate calcium disodium anhydrous,DrugBank,drug,[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O,DRUG_4529
4530,4530,4530,4530,4530,4530,4530,4530,DB16668,Budigalimab,DrugBank,drug,,DRUG_4530
4531,4531,4531,4531,4531,4531,4531,4531,DB00369,Cidofovir,DrugBank,drug,NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1,DRUG_4531
4532,4532,4532,4532,4532,4532,4532,4532,DB07227,L-778123,DrugBank,drug,ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O,DRUG_4532
4533,4533,4533,4533,4533,4533,4533,4533,DB14651,Perphenazine enanthate,DrugBank,drug,CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,DRUG_4533
4534,4534,4534,4534,4534,4534,4534,4534,DB05010,SGS-742,DrugBank,drug,CCCCP(O)(=O)CCCN,DRUG_4534
4535,4535,4535,4535,4535,4535,4535,4535,DB18809,Rocatinlimab,DrugBank,drug,,DRUG_4535
4536,4536,4536,4536,4536,4536,4536,4536,DB15419,Nanatinostat,DrugBank,drug,ONC(=O)C1=CN=C(N=C1)N1C[C@H]2[C@@H](C1)[C@@H]2NCC1=NC2=CC=C(F)C=C2C=C1,DRUG_4536
4537,4537,4537,4537,4537,4537,4537,4537,DB00092,Alefacept,DrugBank,drug,,DRUG_4537
4538,4538,4538,4538,4538,4538,4538,4538,DB14060,NS-398,DrugBank,drug,CS(=O)(=O)NC1=CC=C(C=C1OC1CCCCC1)[N+]([O-])=O,DRUG_4538
4539,4539,4539,4539,4539,4539,4539,4539,DB08436,"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-",DrugBank,drug,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12,DRUG_4539
4540,4540,4540,4540,4540,4540,4540,4540,DB01330,Cefotetan,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O,DRUG_4540
4541,4541,4541,4541,4541,4541,4541,4541,DB12288,Piromelatine,DrugBank,drug,COC1=CC=C2NC=C(CCNC(=O)C3=CC(=O)C=CO3)C2=C1,DRUG_4541
4542,4542,4542,4542,4542,4542,4542,4542,DB07093,"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID",DrugBank,drug,OC(=O)CN1C=CC(=O)N(CC2=NC3=CC(Cl)=CC=C3S2)C1=O,DRUG_4542
4543,4543,4543,4543,4543,4543,4543,4543,DB16640,Almonertinib,DrugBank,drug,COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC(=CC=N1)C1=CN(C2CC2)C2=C1C=CC=C2,DRUG_4543
4544,4544,4544,4544,4544,4544,4544,4544,DB02418,"(R,R)-2,3-Butanediol",DrugBank,drug,C[C@@H](O)[C@H](C)O,DRUG_4544
4545,4545,4545,4545,4545,4545,4545,4545,DB01232,Saquinavir,DrugBank,drug,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC3=C(C=CC=C3)C=C1)[C@@H](C2)C(=O)NC(C)(C)C,DRUG_4545
4546,4546,4546,4546,4546,4546,4546,4546,DB01363,Ephedra sinica root,DrugBank,drug,,DRUG_4546
4547,4547,4547,4547,4547,4547,4547,4547,DB13686,Clometocillin,DrugBank,drug,COC(C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(Cl)C(Cl)=C1,DRUG_4547
4548,4548,4548,4548,4548,4548,4548,4548,DB11858,Leukotriene D4,DrugBank,drug,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,DRUG_4548
4549,4549,4549,4549,4549,4549,4549,4549,DB13270,Dibekacin,DrugBank,drug,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1,DRUG_4549
4550,4550,4550,4550,4550,4550,4550,4550,DB01139,Cefapirin,DrugBank,drug,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O,DRUG_4550
4551,4551,4551,4551,4551,4551,4551,4551,DB04951,Pirfenidone,DrugBank,drug,CC1=CN(C(=O)C=C1)C1=CC=CC=C1,DRUG_4551
4552,4552,4552,4552,4552,4552,4552,4552,DB00875,Flupentixol,DrugBank,drug,[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,DRUG_4552
4553,4553,4553,4553,4553,4553,4553,4553,DB15492,Eticlopride,DrugBank,drug,CCN1CCC[C@H]1CNC(=O)C1=C(O)C(CC)=CC(Cl)=C1OC,DRUG_4553
4554,4554,4554,4554,4554,4554,4554,4554,DB00348,Nitisinone,DrugBank,drug,[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O,DRUG_4554
4555,4555,4555,4555,4555,4555,4555,4555,DB07802,"3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE",DrugBank,drug,CC1=C(Br)C(=O)OC2=C(Br)C(O)=CC=C12,DRUG_4555
4556,4556,4556,4556,4556,4556,4556,4556,DB13506,Carfecillin,DrugBank,drug,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)OC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O,DRUG_4556
4557,4557,4557,4557,4557,4557,4557,4557,DB05064,INCB13739,DrugBank,drug,,DRUG_4557
4558,4558,4558,4558,4558,4558,4558,4558,DB04549,"4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C=C1,DRUG_4558
4559,4559,4559,4559,4559,4559,4559,4559,DB03742,Compound 4-D,DrugBank,drug,[H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1,DRUG_4559
4560,4560,4560,4560,4560,4560,4560,4560,DB07540,"4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE",DrugBank,drug,C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O,DRUG_4560
4561,4561,4561,4561,4561,4561,4561,4561,DB03466,BMS184394,DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,DRUG_4561
4562,4562,4562,4562,4562,4562,4562,4562,DB15919,Diquafosol,DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O,DRUG_4562
4563,4563,4563,4563,4563,4563,4563,4563,DB05391,Liposomal prostaglandin E1,DrugBank,drug,,DRUG_4563
4564,4564,4564,4564,4564,4564,4564,4564,DB04820,Nialamide,DrugBank,drug,O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1,DRUG_4564
4565,4565,4565,4565,4565,4565,4565,4565,DB00588,Fluticasone propionate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_4565
4566,4566,4566,4566,4566,4566,4566,4566,DB08362,"N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE",DrugBank,drug,CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1,DRUG_4566
4567,4567,4567,4567,4567,4567,4567,4567,DB11669,Ortataxel,DrugBank,drug,CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)O[C@H]1[C@@H]2OC(=O)O[C@@]22[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O,DRUG_4567
4568,4568,4568,4568,4568,4568,4568,4568,DB06544,MG98,DrugBank,drug,,DRUG_4568
4569,4569,4569,4569,4569,4569,4569,4569,DB00904,Ondansetron,DrugBank,drug,CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2,DRUG_4569
4570,4570,4570,4570,4570,4570,4570,4570,DB02237,Maltotetraose,DrugBank,drug,OC[C@@H](O)[C@@H](O[C@H]1O[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]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,DRUG_4570
4571,4571,4571,4571,4571,4571,4571,4571,DB15294,SB-1578,DrugBank,drug,C(CN1CCCC1)OC1=C2COC\C=C\COCC3=CC=C(O3)C3=CC=NC(NC(C=C1)=C2)=N3,DRUG_4571
4572,4572,4572,4572,4572,4572,4572,4572,DB12376,Ricolinostat,DrugBank,drug,ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4572
4573,4573,4573,4573,4573,4573,4573,4573,DB06558,Tezosentan,DrugBank,drug,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1,DRUG_4573
4574,4574,4574,4574,4574,4574,4574,4574,DB05165,LY2275796,DrugBank,drug,,DRUG_4574
4575,4575,4575,4575,4575,4575,4575,4575,DB03890,N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide,DrugBank,drug,O=C[C@@]([H])(C(C)C)[C@]1([H])N(CC[C@@]1([H])NS(=O)(=O)C)C(=O)\C=C\CN1CCCCC1,DRUG_4575
4576,4576,4576,4576,4576,4576,4576,4576,DB12554,Mebeverine,DrugBank,drug,CCN(CCCCOC(=O)C1=CC(OC)=C(OC)C=C1)C(C)CC1=CC=C(OC)C=C1,DRUG_4576
4577,4577,4577,4577,4577,4577,4577,4577,DB12980,CHS-828,DrugBank,drug,ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1,DRUG_4577
4578,4578,4578,4578,4578,4578,4578,4578,DB00890,Dienestrol,DrugBank,drug,[H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1,DRUG_4578
4579,4579,4579,4579,4579,4579,4579,4579,DB12381,Merestinib,DrugBank,drug,CN1N=CC2=CC(OC3=C(F)C=C(NC(=O)C4=CC=C(C)N(C4=O)C4=CC=C(F)C=C4)C=C3)=C(C=C12)C1=CNN=C1,DRUG_4579
4580,4580,4580,4580,4580,4580,4580,4580,DB13124,Troxerutin,DrugBank,drug,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC(OCCO)=C(OCCO)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,DRUG_4580
4581,4581,4581,4581,4581,4581,4581,4581,DB11738,Rilmenidine,DrugBank,drug,C1CC1C(NC1=NCCO1)C1CC1,DRUG_4581
4582,4582,4582,4582,4582,4582,4582,4582,DB11794,Berzosertib,DrugBank,drug,CNCC1=CC=C(C=C1)C1=NOC(=C1)C1=NC(=CN=C1N)C1=CC=C(C=C1)S(=O)(=O)C(C)C,DRUG_4582
4583,4583,4583,4583,4583,4583,4583,4583,DB14059,SC-236,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F,DRUG_4583
4584,4584,4584,4584,4584,4584,4584,4584,DB12443,Sonedenoson,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(OCCC2=CC=C(Cl)C=C2)=N1,DRUG_4584
4585,4585,4585,4585,4585,4585,4585,4585,DB03622,"5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione",DrugBank,drug,OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1,DRUG_4585
4586,4586,4586,4586,4586,4586,4586,4586,DB00512,Vancomycin,DrugBank,drug,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(N)[C@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,DRUG_4586
4587,4587,4587,4587,4587,4587,4587,4587,DB08157,ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE,DrugBank,drug,CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O,DRUG_4587
4588,4588,4588,4588,4588,4588,4588,4588,DB02348,Monofluorophosphate ion,DrugBank,drug,[O-]P([O-])(F)=O,DRUG_4588
4589,4589,4589,4589,4589,4589,4589,4589,DB02326,1-Hydroxyamine-2-Isobutylmalonic Acid,DrugBank,drug,CC(C)C[C@@H](C(O)=O)C(=O)NO,DRUG_4589
4590,4590,4590,4590,4590,4590,4590,4590,DB04001,6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid,DrugBank,drug,OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O,DRUG_4590
4591,4591,4591,4591,4591,4591,4591,4591,DB12203,Tozadenant,DrugBank,drug,COC1=C2N=C(NC(=O)N3CCC(C)(O)CC3)SC2=C(C=C1)N1CCOCC1,DRUG_4591
4592,4592,4592,4592,4592,4592,4592,4592,DB11510,Deslorelin,DrugBank,drug,[H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC,DRUG_4592
4593,4593,4593,4593,4593,4593,4593,4593,DB06717,Fosaprepitant,DrugBank,drug,C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N(N2)P(O)(O)=O)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_4593
4594,4594,4594,4594,4594,4594,4594,4594,DB04177,Digitoxigenin,DrugBank,drug,[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2,DRUG_4594
4595,4595,4595,4595,4595,4595,4595,4595,DB01129,Rabeprazole,DrugBank,drug,COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1,DRUG_4595
4596,4596,4596,4596,4596,4596,4596,4596,DB01594,Cinolazepam,DrugBank,drug,OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O,DRUG_4596
4597,4597,4597,4597,4597,4597,4597,4597,DB14043,Palmidrol,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)NCCO,DRUG_4597
4598,4598,4598,4598,4598,4598,4598,4598,DB11911,Galunisertib,DrugBank,drug,CC1=CC=CC(=N1)C1=NN2CCCC2=C1C1=C2C=C(C=CC2=NC=C1)C(N)=O,DRUG_4598
4599,4599,4599,4599,4599,4599,4599,4599,DB19085,Novolimus,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](O)C2)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC,DRUG_4599
4600,4600,4600,4600,4600,4600,4600,4600,DB01079,Tegaserod,DrugBank,drug,CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2,DRUG_4600
4601,4601,4601,4601,4601,4601,4601,4601,DB08423,[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE,DrugBank,drug,NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1,DRUG_4601
4602,4602,4602,4602,4602,4602,4602,4602,DB11168,Calcium threonate,DrugBank,drug,[Ca++].OC[C@H](O)[C@@H](O)C([O-])=O.OC[C@H](O)[C@@H](O)C([O-])=O,DRUG_4602
4603,4603,4603,4603,4603,4603,4603,4603,DB00127,Spermine,DrugBank,drug,NCCCNCCCCNCCCN,DRUG_4603
4604,4604,4604,4604,4604,4604,4604,4604,DB03516,Eniluracil,DrugBank,drug,O=C1NC=C(C#C)C(=O)N1,DRUG_4604
4605,4605,4605,4605,4605,4605,4605,4605,DB09065,Cobicistat,DrugBank,drug,CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1,DRUG_4605
4606,4606,4606,4606,4606,4606,4606,4606,DB01189,Desflurane,DrugBank,drug,FC(F)OC(F)C(F)(F)F,DRUG_4606
4607,4607,4607,4607,4607,4607,4607,4607,DB06216,Asenapine,DrugBank,drug,CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1,DRUG_4607
4608,4608,4608,4608,4608,4608,4608,4608,DB01422,Nitroxoline,DrugBank,drug,OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,DRUG_4608
4609,4609,4609,4609,4609,4609,4609,4609,DB07731,CAN-508,DrugBank,drug,NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1,DRUG_4609
4610,4610,4610,4610,4610,4610,4610,4610,DB09272,Eluxadoline,DrugBank,drug,COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O,DRUG_4610
4611,4611,4611,4611,4611,4611,4611,4611,DB06011,AMG-222,DrugBank,drug,[H][C@](C)(CC1(C2=NNN=N2)C2=CC=C(C=C2CCC2=CC(=CC=C12)C(=O)N(C)C)C(=O)N(C)C)NCC(=O)N1CCC[C@@]1([H])C#N,DRUG_4611
4612,4612,4612,4612,4612,4612,4612,4612,DB06044,TC-2216,DrugBank,drug,Cl.C1CNC2(C1)CCN(C2)C1=CN=CC=C1,DRUG_4612
4613,4613,4613,4613,4613,4613,4613,4613,DB07126,O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE,DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,DRUG_4613
4614,4614,4614,4614,4614,4614,4614,4614,DB06649,Priralfinamide,DrugBank,drug,C[C@H](NCC1=CC=C(OCC2=CC=CC=C2F)C=C1)C(N)=O,DRUG_4614
4615,4615,4615,4615,4615,4615,4615,4615,DB13463,Oxetorone,DrugBank,drug,CN(C)CCC=C1C2=C(COC3=CC=CC=C13)C1=CC=CC=C1O2,DRUG_4615
4616,4616,4616,4616,4616,4616,4616,4616,DB09256,Tegafur,DrugBank,drug,FC1=CN(C2CCCO2)C(=O)NC1=O,DRUG_4616
4617,4617,4617,4617,4617,4617,4617,4617,DB13840,Hydroxyethylpromethazine,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)[N+](C)(C)CCO,DRUG_4617
4618,4618,4618,4618,4618,4618,4618,4618,DB00457,Prazosin,DrugBank,drug,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1,DRUG_4618
4619,4619,4619,4619,4619,4619,4619,4619,DB15358,JNJ-54175446,DrugBank,drug,C[C@H]1N(CCC2=C1N=NN2C1=NC=C(F)C=N1)C(=O)C1=C(Cl)C(=CC=C1)C(F)(F)F,DRUG_4619
4620,4620,4620,4620,4620,4620,4620,4620,DB06429,Talnetant,DrugBank,drug,CCC(NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4620
4621,4621,4621,4621,4621,4621,4621,4621,DB09158,Trypan blue free acid,DrugBank,drug,CC1=CC(=CC=C1\N=N\C1=C(C=C2C=C(C=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(C)=C(C=C1)\N=N\C1=C(O)C2=C(N)C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O,DRUG_4621
4622,4622,4622,4622,4622,4622,4622,4622,DB19160,Quemliclustat,DrugBank,drug,C[C@H](NC1=C2C=NN([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(Cl)=C1)C1=CC=CC=C1F,DRUG_4622
4623,4623,4623,4623,4623,4623,4623,4623,DB18823,Zemirciclib,DrugBank,drug,CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC1=CC(C2=C3CC(C)(C)CN3N=C2)=C(Cl)C=N1,DRUG_4623
4624,4624,4624,4624,4624,4624,4624,4624,DB00377,Palonosetron,DrugBank,drug,[H][C@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2,DRUG_4624
4625,4625,4625,4625,4625,4625,4625,4625,DB15719,Belantamab mafodotin,DrugBank,drug,,DRUG_4625
4626,4626,4626,4626,4626,4626,4626,4626,DB05282,MCC,DrugBank,drug,,DRUG_4626
4627,4627,4627,4627,4627,4627,4627,4627,DB09418,Potassium perchlorate,DrugBank,drug,[K+].[O-][Cl](=O)(=O)=O,DRUG_4627
4628,4628,4628,4628,4628,4628,4628,4628,DB11630,Temoporfin,DrugBank,drug,OC1=CC=CC(=C1)C-1=C2\CCC(=N2)\C(=C2/N\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C\-1N2)C1=CC(O)=CC=C1)C1=CC(O)=CC=C1)\C1=CC(O)=CC=C1,DRUG_4628
4629,4629,4629,4629,4629,4629,4629,4629,DB07621,(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,DrugBank,drug,NCC1=CC=C(O1)C1=CC=CN=C1,DRUG_4629
4630,4630,4630,4630,4630,4630,4630,4630,DB06963,"3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide",DrugBank,drug,[H][C@@](C)(NC1=CC2=C(C=N1)C(C)=NN2C1=CC=CC(CCC(N)=O)=C1)C1=CC=CC=C1,DRUG_4630
4631,4631,4631,4631,4631,4631,4631,4631,DB02765,R-9-(2-hydroxypropyl)adenine,DrugBank,drug,C[C@@H](O)CN1C=NC2=C1N=CN=C2N,DRUG_4631
4632,4632,4632,4632,4632,4632,4632,4632,DB15036,Sitravatinib,DrugBank,drug,COCCNCC1=CC=C(N=C1)C1=CC2=C(S1)C(OC1=C(F)C=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2,DRUG_4632
4633,4633,4633,4633,4633,4633,4633,4633,DB05758,CYT007-TNFQb,DrugBank,drug,,DRUG_4633
4634,4634,4634,4634,4634,4634,4634,4634,DB03217,DPI59,DrugBank,drug,[H][C@@](O)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,DRUG_4634
4635,4635,4635,4635,4635,4635,4635,4635,DB13719,Trolnitrate,DrugBank,drug,O=N(=O)OCCN(CCON(=O)=O)CCON(=O)=O,DRUG_4635
4636,4636,4636,4636,4636,4636,4636,4636,DB01612,Amyl Nitrite,DrugBank,drug,CCCCCON=O,DRUG_4636
4637,4637,4637,4637,4637,4637,4637,4637,DB02866,Dansylamide,DrugBank,drug,CN(C)C1=C2C=CC=C(C2=CC=C1)S(N)(=O)=O,DRUG_4637
4638,4638,4638,4638,4638,4638,4638,4638,DB00036,Coagulation factor VIIa Recombinant Human,DrugBank,drug,,DRUG_4638
4639,4639,4639,4639,4639,4639,4639,4639,DB12804,Daniquidone,DrugBank,drug,NC1=CC=C2N=C3N(CC2=C1)C(=O)C1=CC=CC=C31,DRUG_4639
4640,4640,4640,4640,4640,4640,4640,4640,DB12465,Ketanserin,DrugBank,drug,FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1,DRUG_4640
4641,4641,4641,4641,4641,4641,4641,4641,DB07882,"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID",DrugBank,drug,[H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2(C)CCC[N@+]1([O-])CC(=O)NC1=CC=C(NC(=O)CCCC(O)=O)C=C1,DRUG_4641
4642,4642,4642,4642,4642,4642,4642,4642,DB02144,"1,2-diacyl-sn-glycero-3-phosphoinositol",DrugBank,drug,[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,DRUG_4642
4643,4643,4643,4643,4643,4643,4643,4643,DB01611,Hydroxychloroquine,DrugBank,drug,CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,DRUG_4643
4644,4644,4644,4644,4644,4644,4644,4644,DB08597,Dorsomorphin,DrugBank,drug,C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1,DRUG_4644
4645,4645,4645,4645,4645,4645,4645,4645,DB02058,3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone,DrugBank,drug,[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12,DRUG_4645
4646,4646,4646,4646,4646,4646,4646,4646,DB10770,Foreskin fibroblast (neonatal),DrugBank,drug,,DRUG_4646
4647,4647,4647,4647,4647,4647,4647,4647,DB10719,Pascopyrum smithii pollen,DrugBank,drug,,DRUG_4647
4648,4648,4648,4648,4648,4648,4648,4648,DB13597,Moroxydine,DrugBank,drug,NC(=N)NC(=N)N1CCOCC1,DRUG_4648
4649,4649,4649,4649,4649,4649,4649,4649,DB11068,Selenic acid,DrugBank,drug,O[Se](O)(=O)=O,DRUG_4649
4650,4650,4650,4650,4650,4650,4650,4650,DB03802,"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",DrugBank,drug,[H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1,DRUG_4650
4651,4651,4651,4651,4651,4651,4651,4651,DB08169,(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide,DrugBank,drug,O\C(C1CC1)=C(\C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,DRUG_4651
4652,4652,4652,4652,4652,4652,4652,4652,DB06364,XR5944,DrugBank,drug,[H]N(CCN([H])CCN([H])C(=O)C1=CC=CC2=NC3=CC=CC(C)=C3N=C12)CCN([H])C(=O)C1=CC=CC2=NC3=CC=CC(C)=C3N=C12,DRUG_4652
4653,4653,4653,4653,4653,4653,4653,4653,DB02585,4-(Hydroxymethyl)Benzamidine,DrugBank,drug,NC(=N)C1=CC=C(CO)C=C1,DRUG_4653
4654,4654,4654,4654,4654,4654,4654,4654,DB08774,"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine",DrugBank,drug,[H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1,DRUG_4654
4655,4655,4655,4655,4655,4655,4655,4655,DB00231,Temazepam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1,DRUG_4655
4656,4656,4656,4656,4656,4656,4656,4656,DB07562,"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE",DrugBank,drug,CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1,DRUG_4656
4657,4657,4657,4657,4657,4657,4657,4657,DB13726,Sulfaguanidine,DrugBank,drug,NC(=N)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_4657
4658,4658,4658,4658,4658,4658,4658,4658,DB08103,"2,6-dibromo-4-phenoxyphenol",DrugBank,drug,OC1=C(Br)C=C(OC2=CC=CC=C2)C=C1Br,DRUG_4658
4659,4659,4659,4659,4659,4659,4659,4659,DB14065,Lomerizine,DrugBank,drug,COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC,DRUG_4659
4660,4660,4660,4660,4660,4660,4660,4660,DB17385,Lipotecan,DrugBank,drug,CC[C@@]1(OC(=O)C(C)ON=C2C3=C(C4=C2C=C(C=C4[N+]([O-])=O)[N+]([O-])=O)C(=CC(=C3)[N+]([O-])=O)[N+]([O-])=O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O,DRUG_4660
4661,4661,4661,4661,4661,4661,4661,4661,DB17018,AZD-5153,DrugBank,drug,COC1=NN=C2C=CC(=NN12)N1CCC(CC1)C1=CC=C(OCCN2CCN(C)C(=O)[C@H]2C)C=C1,DRUG_4661
4662,4662,4662,4662,4662,4662,4662,4662,DB07405,"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE",DrugBank,drug,NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12,DRUG_4662
4663,4663,4663,4663,4663,4663,4663,4663,DB05676,Apremilast,DrugBank,drug,CCOC1=CC(=CC=C1OC)[C@@H](CS(C)(=O)=O)N1C(=O)C2=CC=CC(NC(C)=O)=C2C1=O,DRUG_4663
4664,4664,4664,4664,4664,4664,4664,4664,DB12428,PAC-14028,DrugBank,drug,CCCC1=C(\C=C\C(=O)N[C@H](C)C2=CC(F)=C(NS(C)(=O)=O)C(F)=C2)C=CC(=N1)C(F)(F)F,DRUG_4664
4665,4665,4665,4665,4665,4665,4665,4665,DB01102,Arbutamine,DrugBank,drug,O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1,DRUG_4665
4666,4666,4666,4666,4666,4666,4666,4666,DB06699,Degarelix,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_4666
4667,4667,4667,4667,4667,4667,4667,4667,DB05268,iCo-007,DrugBank,drug,,DRUG_4667
4668,4668,4668,4668,4668,4668,4668,4668,DB12629,"3,5-diiodothyropropionic acid",DrugBank,drug,OC(=O)CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1,DRUG_4668
4669,4669,4669,4669,4669,4669,4669,4669,DB07061,"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL",DrugBank,drug,[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2,DRUG_4669
4670,4670,4670,4670,4670,4670,4670,4670,DB08614,"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE",DrugBank,drug,[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F,DRUG_4670
4671,4671,4671,4671,4671,4671,4671,4671,DB02542,(4s)-5-Fluoro-L-Leucine,DrugBank,drug,C[C@H](CF)C[C@H](N)C(O)=O,DRUG_4671
4672,4672,4672,4672,4672,4672,4672,4672,DB03824,"7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline",DrugBank,drug,IC1=CC2=C(CCNC2)C=C1,DRUG_4672
4673,4673,4673,4673,4673,4673,4673,4673,DB00659,Acamprosate,DrugBank,drug,CC(=O)NCCCS(O)(=O)=O,DRUG_4673
4674,4674,4674,4674,4674,4674,4674,4674,DB02358,LY374571,DrugBank,drug,[H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H],DRUG_4674
4675,4675,4675,4675,4675,4675,4675,4675,DB04454,Alpha-Aminobutyric Acid,DrugBank,drug,CC[C@@H](N)C(O)=O,DRUG_4675
4676,4676,4676,4676,4676,4676,4676,4676,DB09215,Droxicam,DrugBank,drug,CN1C2=C(OC(=O)N(C2=O)C2=CC=CC=N2)C2=CC=CC=C2S1(=O)=O,DRUG_4676
4677,4677,4677,4677,4677,4677,4677,4677,DB12427,Orvepitant,DrugBank,drug,C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN2[C@@H](CCC2=O)C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_4677
4678,4678,4678,4678,4678,4678,4678,4678,DB10713,Poa compressa pollen,DrugBank,drug,,DRUG_4678
4679,4679,4679,4679,4679,4679,4679,4679,DB05993,PRX-07034,DrugBank,drug,Cl.COC1=C(OC)C(=CC(Cl)=C1)C(C)NC1=CC(=CC=C1S(C)(=O)=O)N1CCNCC1,DRUG_4679
4680,4680,4680,4680,4680,4680,4680,4680,DB00173,Adenine,DrugBank,drug,NC1=C2NC=NC2=NC=N1,DRUG_4680
4681,4681,4681,4681,4681,4681,4681,4681,DB00760,Meropenem,DrugBank,drug,[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H],DRUG_4681
4682,4682,4682,4682,4682,4682,4682,4682,DB02211,(R)-N-methyl-N-2-propynyl-1-indanamine,DrugBank,drug,CN(CC#C)[C@@H]1CCC2=C1C=CC=C2,DRUG_4682
4683,4683,4683,4683,4683,4683,4683,4683,DB08482,[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER,DrugBank,drug,[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC,DRUG_4683
4684,4684,4684,4684,4684,4684,4684,4684,DB17299,p-Toluenesulfonamide,DrugBank,drug,CC1=CC=C(C=C1)S(N)(=O)=O,DRUG_4684
4685,4685,4685,4685,4685,4685,4685,4685,DB07835,"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide",DrugBank,drug,CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1,DRUG_4685
4686,4686,4686,4686,4686,4686,4686,4686,DB08620,Thiacloprid,DrugBank,drug,ClC1=CC=C(CN2CCS\C2=N/C#N)C=N1,DRUG_4686
4687,4687,4687,4687,4687,4687,4687,4687,DB13919,Candesartan,DrugBank,drug,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(O)=O,DRUG_4687
4688,4688,4688,4688,4688,4688,4688,4688,DB13577,Allobarbital,DrugBank,drug,C=CCC1(CC=C)C(=O)NC(=O)NC1=O,DRUG_4688
4689,4689,4689,4689,4689,4689,4689,4689,DB01438,Phenazopyridine,DrugBank,drug,NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1,DRUG_4689
4690,4690,4690,4690,4690,4690,4690,4690,DB13243,Tiazofurine,DrugBank,drug,NC(=O)C1=CSC(=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_4690
4691,4691,4691,4691,4691,4691,4691,4691,DB02169,"9,10-Deepithio-9,10-Didehydroacanthifolicin",DrugBank,drug,[H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1,DRUG_4691
4692,4692,4692,4692,4692,4692,4692,4692,DB11904,Flumatinib,DrugBank,drug,CN1CCN(CC2=CC=C(C=C2C(F)(F)F)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CC=CN=C3)=C(C)N=C2)CC1,DRUG_4692
4693,4693,4693,4693,4693,4693,4693,4693,DB12814,Cepeginterferon alfa-2B,DrugBank,drug,,DRUG_4693
4694,4694,4694,4694,4694,4694,4694,4694,DB04368,Bb-3497,DrugBank,drug,[H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C,DRUG_4694
4695,4695,4695,4695,4695,4695,4695,4695,DB15982,Berotralstat,DrugBank,drug,NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F,DRUG_4695
4696,4696,4696,4696,4696,4696,4696,4696,DB09143,Sonidegib,DrugBank,drug,[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1,DRUG_4696
4697,4697,4697,4697,4697,4697,4697,4697,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",DrugBank,drug,[H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,DRUG_4697
4698,4698,4698,4698,4698,4698,4698,4698,DB07003,"(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",DrugBank,drug,[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2,DRUG_4698
4699,4699,4699,4699,4699,4699,4699,4699,DB07091,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)COC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_4699
4700,4700,4700,4700,4700,4700,4700,4700,DB01172,Kanamycin,DrugBank,drug,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_4700
4701,4701,4701,4701,4701,4701,4701,4701,DB03937,D-erythrose 4-phosphate,DrugBank,drug,[H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_4701
4702,4702,4702,4702,4702,4702,4702,4702,DB12114,Poziotinib,DrugBank,drug,COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1,DRUG_4702
4703,4703,4703,4703,4703,4703,4703,4703,DB00218,Moxifloxacin,DrugBank,drug,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O,DRUG_4703
4704,4704,4704,4704,4704,4704,4704,4704,DB16119,Carotegrast methyl,DrugBank,drug,COC(=O)[C@H](CC1=CC=C(C=C1)N1C(=O)N(C)C2=C(C=C(C=C2)N(C)C)C1=O)NC(=O)C1=C(Cl)C=CC=C1Cl,DRUG_4704
4705,4705,4705,4705,4705,4705,4705,4705,DB12354,Imrecoxib,DrugBank,drug,CCCN1CC(=C(C1=O)C1=CC=C(C)C=C1)C1=CC=C(C=C1)S(C)(=O)=O,DRUG_4705
4706,4706,4706,4706,4706,4706,4706,4706,DB13059,PF-03814735,DrugBank,drug,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C1=C2C=CC(NC2=NC=C(C(NC3CCC3)=N2)C(F)(F)F)=C1,DRUG_4706
4707,4707,4707,4707,4707,4707,4707,4707,DB00872,Conivaptan,DrugBank,drug,CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1,DRUG_4707
4708,4708,4708,4708,4708,4708,4708,4708,DB14063,Dexverapamil,DrugBank,drug,COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC,DRUG_4708
4709,4709,4709,4709,4709,4709,4709,4709,DB06157,Istaroxime,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN,DRUG_4709
4710,4710,4710,4710,4710,4710,4710,4710,DB01283,Lumiracoxib,DrugBank,drug,CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1,DRUG_4710
4711,4711,4711,4711,4711,4711,4711,4711,DB09011,Beclamide,DrugBank,drug,ClCCC(=O)NCC1=CC=CC=C1,DRUG_4711
4712,4712,4712,4712,4712,4712,4712,4712,DB13534,Gedocarnil,DrugBank,drug,COCC1=C(N=CC2=C1C1=C(N2)C=CC=C1OC1=CC=C(Cl)C=C1)C(=O)OC(C)C,DRUG_4712
4713,4713,4713,4713,4713,4713,4713,4713,DB07009,"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL",DrugBank,drug,OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1,DRUG_4713
4714,4714,4714,4714,4714,4714,4714,4714,DB05001,PSN9301,DrugBank,drug,,DRUG_4714
4715,4715,4715,4715,4715,4715,4715,4715,DB07054,(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL,DrugBank,drug,[H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C,DRUG_4715
4716,4716,4716,4716,4716,4716,4716,4716,DB14790,Zatolmilast,DrugBank,drug,OC(=O)CC1=CC=C(CC2=CC(=NC(=C2)C(F)(F)F)C2=CC(Cl)=CC=C2)C=C1,DRUG_4716
4717,4717,4717,4717,4717,4717,4717,4717,DB06310,Motavizumab,DrugBank,drug,,DRUG_4717
4718,4718,4718,4718,4718,4718,4718,4718,DB07255,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE",DrugBank,drug,ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1,DRUG_4718
4719,4719,4719,4719,4719,4719,4719,4719,DB03372,"3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One",DrugBank,drug,SCCC(=O)N1CCC2=C(C1)NC1=C2C=CC=C1,DRUG_4719
4720,4720,4720,4720,4720,4720,4720,4720,DB16294,Pexmetinib,DrugBank,drug,CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NCC1=CC(F)=CC=C1OC1=CC2=C(C=C1)N(CCO)N=C2)C(C)(C)C,DRUG_4720
4721,4721,4721,4721,4721,4721,4721,4721,DB01324,Polythiazide,DrugBank,drug,CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,DRUG_4721
4722,4722,4722,4722,4722,4722,4722,4722,DB01087,Primaquine,DrugBank,drug,COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1,DRUG_4722
4723,4723,4723,4723,4723,4723,4723,4723,DB12617,Mizoribine,DrugBank,drug,NC(=O)C1=C(O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_4723
4724,4724,4724,4724,4724,4724,4724,4724,DB18752,Indotecan,DrugBank,drug,COC1=C(OC)C=C2C(=O)N(CCCN3CCOCC3)C3=C(C(=O)C4=CC5=C(OCO5)C=C34)C2=C1,DRUG_4724
4725,4725,4725,4725,4725,4725,4725,4725,DB11726,Encenicline,DrugBank,drug,ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2,DRUG_4725
4726,4726,4726,4726,4726,4726,4726,4726,DB16453,Efzofitimod,DrugBank,drug,,DRUG_4726
4727,4727,4727,4727,4727,4727,4727,4727,DB14942,BMS-986141,DrugBank,drug,COC1=NN2C=C(N=C2S1)C1=CC2=C(O1)C=C(OC)C=C2OCC1=CSC(=N1)C1=CC=C(C=C1)C(=O)N(C)C,DRUG_4727
4728,4728,4728,4728,4728,4728,4728,4728,DB09079,Nintedanib,DrugBank,drug,COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1,DRUG_4728
4729,4729,4729,4729,4729,4729,4729,4729,DB00305,Mitomycin,DrugBank,drug,[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O,DRUG_4729
4730,4730,4730,4730,4730,4730,4730,4730,DB05996,Glembatumumab vedotin,DrugBank,drug,,DRUG_4730
4731,4731,4731,4731,4731,4731,4731,4731,DB14633,Prednisolone hemisuccinate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4731
4732,4732,4732,4732,4732,4732,4732,4732,DB08601,Tributyltin,DrugBank,drug,[H][Sn](CCCC)(CCCC)CCCC,DRUG_4732
4733,4733,4733,4733,4733,4733,4733,4733,DB04645,"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID",DrugBank,drug,CC1=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1OCCCCC(O)=O,DRUG_4733
4734,4734,4734,4734,4734,4734,4734,4734,DB02822,Para-Bromobenzyl Alcohol,DrugBank,drug,OCC1=CC=C(Br)C=C1,DRUG_4734
4735,4735,4735,4735,4735,4735,4735,4735,DB01550,Fenproporex,DrugBank,drug,CC(CC1=CC=CC=C1)NCCC#N,DRUG_4735
4736,4736,4736,4736,4736,4736,4736,4736,DB15465,Benzhydrocodone,DrugBank,drug,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC=C2OC(=O)C1=CC=CC=C1,DRUG_4736
4737,4737,4737,4737,4737,4737,4737,4737,DB05414,Pipendoxifene,DrugBank,drug,CC1=C(N(CC2=CC=C(OCCN3CCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,DRUG_4737
4738,4738,4738,4738,4738,4738,4738,4738,DB13778,Cefazedone,DrugBank,drug,CC1=NN=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CN2C=C(Cl)C(=O)C(Cl)=C2)C3=O)C(O)=O)S1,DRUG_4738
4739,4739,4739,4739,4739,4739,4739,4739,DB07638,"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",DrugBank,drug,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_4739
4740,4740,4740,4740,4740,4740,4740,4740,DB16833,Adenosine disphosphate,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_4740
4741,4741,4741,4741,4741,4741,4741,4741,DB12125,Dianicline,DrugBank,drug,C1C[C@@]23C[N@@]1CC[C@@H]2OC1=C(C3)N=CC=C1,DRUG_4741
4742,4742,4742,4742,4742,4742,4742,4742,DB07433,(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE,DrugBank,drug,[H][C@](C)(NC=O)NC(=O)[C@]([H])(C)NC(=O)OC(C)(C)C,DRUG_4742
4743,4743,4743,4743,4743,4743,4743,4743,DB00384,Triamterene,DrugBank,drug,NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1,DRUG_4743
4744,4744,4744,4744,4744,4744,4744,4744,DB06868,N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC(Cl)=CC=C1,DRUG_4744
4745,4745,4745,4745,4745,4745,4745,4745,DB00335,Atenolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1,DRUG_4745
4746,4746,4746,4746,4746,4746,4746,4746,DB04877,Voacamine,DrugBank,drug,[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC,DRUG_4746
4747,4747,4747,4747,4747,4747,4747,4747,DB17472,Pirtobrutinib,DrugBank,drug,COC1=C(C=C(F)C=C1)C(=O)NCC1=CC=C(C=C1)C1=NN([C@@H](C)C(F)(F)F)C(N)=C1C(N)=O,DRUG_4747
4748,4748,4748,4748,4748,4748,4748,4748,DB12447,Nadifloxacin,DrugBank,drug,CC1CCC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCC(O)CC1,DRUG_4748
4749,4749,4749,4749,4749,4749,4749,4749,DB05200,AT2220,DrugBank,drug,,DRUG_4749
4750,4750,4750,4750,4750,4750,4750,4750,DB00098,Antithymocyte immunoglobulin (rabbit),DrugBank,drug,,DRUG_4750
4751,4751,4751,4751,4751,4751,4751,4751,DB08870,Brentuximab vedotin,DrugBank,drug,,DRUG_4751
4752,4752,4752,4752,4752,4752,4752,4752,DB00951,Isoniazid,DrugBank,drug,NNC(=O)C1=CC=NC=C1,DRUG_4752
4753,4753,4753,4753,4753,4753,4753,4753,DB07119,1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL,DrugBank,drug,OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1,DRUG_4753
4754,4754,4754,4754,4754,4754,4754,4754,DB03456,N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide,DrugBank,drug,[H][C@@](CC(C)C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@]1([H])CCN(C1)C#N,DRUG_4754
4755,4755,4755,4755,4755,4755,4755,4755,DB15355,PL-3994,DrugBank,drug,CCCCCCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CNC=N2)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1C[C@@H](NC(=O)[C@@H]1CCCNC(N)=N)C(N)=O,DRUG_4755
4756,4756,4756,4756,4756,4756,4756,4756,DB05015,Belinostat,DrugBank,drug,ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1,DRUG_4756
4757,4757,4757,4757,4757,4757,4757,4757,DB04594,3-hydroxyglutaric acid,DrugBank,drug,OC(CC(O)=O)CC(O)=O,DRUG_4757
4758,4758,4758,4758,4758,4758,4758,4758,DB07074,6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER,DrugBank,drug,COC(=O)C1=CC2=CC=C(C=C2C(NC(=O)C2=CC=CC(O)=C2C)=C1)C(N)=N,DRUG_4758
4759,4759,4759,4759,4759,4759,4759,4759,DB00680,Moricizine,DrugBank,drug,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1,DRUG_4759
4760,4760,4760,4760,4760,4760,4760,4760,DB08466,"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol",DrugBank,drug,OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1,DRUG_4760
4761,4761,4761,4761,4761,4761,4761,4761,DB05461,OPC-28326,DrugBank,drug,O.Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N1CCC(CC1)N(C)CCC1=CC=CC=C1,DRUG_4761
4762,4762,4762,4762,4762,4762,4762,4762,DB06080,Linifanib,DrugBank,drug,CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1,DRUG_4762
4763,4763,4763,4763,4763,4763,4763,4763,DB06525,Ganstigmine,DrugBank,drug,CCC1=C(NC(=O)OC2=CC3=C(C=C2)N(C)[C@H]2ON(C)CC[C@@]32C)C=CC=C1,DRUG_4763
4764,4764,4764,4764,4764,4764,4764,4764,DB06511,AMGN-0007,DrugBank,drug,,DRUG_4764
4765,4765,4765,4765,4765,4765,4765,4765,DB00104,Octreotide,DrugBank,drug,,DRUG_4765
4766,4766,4766,4766,4766,4766,4766,4766,DB05871,UC-781,DrugBank,drug,CC(C)=CCOC1=C(Cl)C=CC(NC(=S)C2=C(C)OC=C2)=C1,DRUG_4766
4767,4767,4767,4767,4767,4767,4767,4767,DB08881,Vemurafenib,DrugBank,drug,CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1,DRUG_4767
4768,4768,4768,4768,4768,4768,4768,4768,DB07665,"N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide",DrugBank,drug,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(C=CC(N([H])CC(F)(F)C2=CC=CC=N2)=C1F)C#N)N([H])[H],DRUG_4768
4769,4769,4769,4769,4769,4769,4769,4769,DB18125,PTX-100,DrugBank,drug,CC(C)C[C@H](NC(=O)N1CCN(CC2=C(C)N=CN2)C(=O)[C@@H]1CC1=CC=CC=C1)C(O)=O,DRUG_4769
4770,4770,4770,4770,4770,4770,4770,4770,DB05892,RI 624,DrugBank,drug,,DRUG_4770
4771,4771,4771,4771,4771,4771,4771,4771,DB00598,Labetalol,DrugBank,drug,CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1,DRUG_4771
4772,4772,4772,4772,4772,4772,4772,4772,DB19311,Farglitazar,DrugBank,drug,CC1=C(CCOC2=CC=C(C[C@H](NC3=CC=CC=C3C(=O)C3=CC=CC=C3)C(O)=O)C=C2)N=C(O1)C1=CC=CC=C1,DRUG_4772
4773,4773,4773,4773,4773,4773,4773,4773,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",DrugBank,drug,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=NNC(=N2)C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,DRUG_4773
4774,4774,4774,4774,4774,4774,4774,4774,DB17026,Ellipticine,DrugBank,drug,CC1=C2C=CN=CC2=C(C)C2=C1NC1=C2C=CC=C1,DRUG_4774
4775,4775,4775,4775,4775,4775,4775,4775,DB10076,Haemophilus influenzae type B strain 1482 capsular polysaccharide tetanus toxoid conjugate antigen,DrugBank,drug,,DRUG_4775
4776,4776,4776,4776,4776,4776,4776,4776,DB11831,Dinitrochlorobenzene,DrugBank,drug,ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O,DRUG_4776
4777,4777,4777,4777,4777,4777,4777,4777,DB09383,Meprednisone,DrugBank,drug,[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,DRUG_4777
4778,4778,4778,4778,4778,4778,4778,4778,DB00812,Phenylbutazone,DrugBank,drug,CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_4778
4779,4779,4779,4779,4779,4779,4779,4779,DB13850,Timepidium,DrugBank,drug,COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1,DRUG_4779
4780,4780,4780,4780,4780,4780,4780,4780,DB11707,Olaptesed Pegol,DrugBank,drug,,DRUG_4780
4781,4781,4781,4781,4781,4781,4781,4781,DB08780,6-MORPHOLIN-4-YL-9H-PURINE,DrugBank,drug,C1CN(CCO1)C1=C2N=CNC2=NC=N1,DRUG_4781
4782,4782,4782,4782,4782,4782,4782,4782,DB08886,Asparaginase Erwinia chrysanthemi,DrugBank,drug,,DRUG_4782
4783,4783,4783,4783,4783,4783,4783,4783,DB01119,Diazoxide,DrugBank,drug,CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2,DRUG_4783
4784,4784,4784,4784,4784,4784,4784,4784,DB02422,Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside,DrugBank,drug,[H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O,DRUG_4784
4785,4785,4785,4785,4785,4785,4785,4785,DB12950,Albusomatropin,DrugBank,drug,,DRUG_4785
4786,4786,4786,4786,4786,4786,4786,4786,DB00460,Verteporfin,DrugBank,drug,,DRUG_4786
4787,4787,4787,4787,4787,4787,4787,4787,DB07440,4-TERT-BUTYLBENZENESULFONIC ACID,DrugBank,drug,CC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O,DRUG_4787
4788,4788,4788,4788,4788,4788,4788,4788,DB13214,Sulfadicramide,DrugBank,drug,CC(C)=CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_4788
4789,4789,4789,4789,4789,4789,4789,4789,DB06287,Temsirolimus,DrugBank,drug,OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC,DRUG_4789
4790,4790,4790,4790,4790,4790,4790,4790,DB14384,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) hemagglutinin antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_4790
4791,4791,4791,4791,4791,4791,4791,4791,DB12204,Terbogrel,DrugBank,drug,CC(C)(C)N\C(NC#N)=N\C1=CC(=CC=C1)C(=C/CCCC(O)=O)\C1=CC=CN=C1,DRUG_4791
4792,4792,4792,4792,4792,4792,4792,4792,DB01280,Nelarabine,DrugBank,drug,COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_4792
4793,4793,4793,4793,4793,4793,4793,4793,DB01621,Pipotiazine,DrugBank,drug,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1,DRUG_4793
4794,4794,4794,4794,4794,4794,4794,4794,DB07736,(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide,DrugBank,drug,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCS,DRUG_4794
4795,4795,4795,4795,4795,4795,4795,4795,DB16210,Kisspeptin-10,DrugBank,drug,,DRUG_4795
4796,4796,4796,4796,4796,4796,4796,4796,DB00531,Cyclophosphamide,DrugBank,drug,ClCCN(CCCl)P1(=O)NCCCO1,DRUG_4796
4797,4797,4797,4797,4797,4797,4797,4797,DB03403,Cytidine-5'-Monophosphate,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_4797
4798,4798,4798,4798,4798,4798,4798,4798,DB16995,NP-51,DrugBank,drug,OC(CONC(=N)C1=CC=CN=C1)CN1CCCCC1,DRUG_4798
4799,4799,4799,4799,4799,4799,4799,4799,DB15005,Viltolarsen,DrugBank,drug,,DRUG_4799
4800,4800,4800,4800,4800,4800,4800,4800,DB13461,Cefcapene,DrugBank,drug,CC\C=C(/C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1,DRUG_4800
4801,4801,4801,4801,4801,4801,4801,4801,DB13742,Elcatonin,DrugBank,drug,[H]OC(=O)C([H])([H])C([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C1([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])[H])C([H])(O[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)O[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H],DRUG_4801
4802,4802,4802,4802,4802,4802,4802,4802,DB02034,Tridolgosir,DrugBank,drug,[H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O,DRUG_4802
4803,4803,4803,4803,4803,4803,4803,4803,DB08346,"(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE",DrugBank,drug,OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl,DRUG_4803
4804,4804,4804,4804,4804,4804,4804,4804,DB04960,Tipifarnib,DrugBank,drug,CN1C=NC=C1[C@@](N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1,DRUG_4804
4805,4805,4805,4805,4805,4805,4805,4805,DB09269,Phenylacetic acid,DrugBank,drug,OC(=O)CC1=CC=CC=C1,DRUG_4805
4806,4806,4806,4806,4806,4806,4806,4806,DB08858,cis-Diamminechlorocholylglycinateplatinum(II),DrugBank,drug,N.N.Cl.[Pt++].CC(CCC([O-])=NCC([O-])=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,DRUG_4806
4807,4807,4807,4807,4807,4807,4807,4807,DB06799,Methenamine,DrugBank,drug,C1N2CN3CN1CN(C2)C3,DRUG_4807
4808,4808,4808,4808,4808,4808,4808,4808,DB04653,N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide,DrugBank,drug,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1,DRUG_4808
4809,4809,4809,4809,4809,4809,4809,4809,DB06110,MDX-214,DrugBank,drug,,DRUG_4809
4810,4810,4810,4810,4810,4810,4810,4810,DB16133,Delgocitinib,DrugBank,drug,C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)C1=C2C=CNC2=NC=N1,DRUG_4810
4811,4811,4811,4811,4811,4811,4811,4811,DB04476,"Trencam-3,2-Hopo",DrugBank,drug,NC(=O)C1=CC=CC(O)=C1O,DRUG_4811
4812,4812,4812,4812,4812,4812,4812,4812,DB12140,Dilmapimod,DrugBank,drug,CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F,DRUG_4812
4813,4813,4813,4813,4813,4813,4813,4813,DB13225,Dibenzepin,DrugBank,drug,CN(C)CCN1C2=CC=CC=C2N(C)C2=CC=CC=C2C1=O,DRUG_4813
4814,4814,4814,4814,4814,4814,4814,4814,DB19329,Azelaprag,DrugBank,drug,COC1=CC=CC(OC)=C1N1C(NS(=O)(=O)[C@@H](C)[C@H](C)C2=NC=C(C)C=N2)=NN=C1C1=CN=CC(C)=C1,DRUG_4814
4815,4815,4815,4815,4815,4815,4815,4815,DB08313,Nocodazole,DrugBank,drug,COC(=O)NC1=NC2=CC(=CC=C2N1)C(=O)C1=CC=CS1,DRUG_4815
4816,4816,4816,4816,4816,4816,4816,4816,DB09140,Oxygen,DrugBank,drug,O=O,DRUG_4816
4817,4817,4817,4817,4817,4817,4817,4817,DB14485,Zinc ascorbate,DrugBank,drug,[Zn++].[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO.[H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO,DRUG_4817
4818,4818,4818,4818,4818,4818,4818,4818,DB04008,Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium,DrugBank,drug,[Zn++].NC(=[NH2+])C1=CC2=C([N-]C(CC3=NC4=C([N-]3)C=CC(=C4)C(N)=[NH2+])=N2)C=C1,DRUG_4818
4819,4819,4819,4819,4819,4819,4819,4819,DB02032,Epicaptopril,DrugBank,drug,C[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O,DRUG_4819
4820,4820,4820,4820,4820,4820,4820,4820,DB12764,Opaganib,DrugBank,drug,ClC1=CC=C(C=C1)C12CC3CC(CC(C3)(C1)C(=O)NCC1=CC=NC=C1)C2,DRUG_4820
4821,4821,4821,4821,4821,4821,4821,4821,DB06367,Relacatib,DrugBank,drug,CC(C)C[C@H](NC(=O)C1=CC2=CC=CC=C2O1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)C1=CC=CC=N1,DRUG_4821
4822,4822,4822,4822,4822,4822,4822,4822,DB02103,2-Chlorodideoxyadenosine,DrugBank,drug,[H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C1N=C(Cl)N=C2N,DRUG_4822
4823,4823,4823,4823,4823,4823,4823,4823,DB14898,Retagliptin,DrugBank,drug,COC(=O)C1=C2CN(CCN2C(=N1)C(F)(F)F)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F,DRUG_4823
4824,4824,4824,4824,4824,4824,4824,4824,DB15791,MK-0668,DrugBank,drug,OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C1=CC=CC(=C1)C#N)NC1CCC1,DRUG_4824
4825,4825,4825,4825,4825,4825,4825,4825,DB00932,Tipranavir,DrugBank,drug,[H][C@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O,DRUG_4825
4826,4826,4826,4826,4826,4826,4826,4826,DB12476,CPG-52852,DrugBank,drug,CCC1=NC2=C(N1CCCCNS(C)(=O)=O)C1=CC=CC=C1N=C2N,DRUG_4826
4827,4827,4827,4827,4827,4827,4827,4827,DB16130,Dapansutrile,DrugBank,drug,CS(=O)(=O)CCC#N,DRUG_4827
4828,4828,4828,4828,4828,4828,4828,4828,DB13875,Harmaline,DrugBank,drug,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1,DRUG_4828
4829,4829,4829,4829,4829,4829,4829,4829,DB00449,Dipivefrin,DrugBank,drug,CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1,DRUG_4829
4830,4830,4830,4830,4830,4830,4830,4830,DB03307,4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide,DrugBank,drug,NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,DRUG_4830
4831,4831,4831,4831,4831,4831,4831,4831,DB06241,Clenoliximab,DrugBank,drug,,DRUG_4831
4832,4832,4832,4832,4832,4832,4832,4832,DB02052,Indirubin-3'-monoxime,DrugBank,drug,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2,DRUG_4832
4833,4833,4833,4833,4833,4833,4833,4833,DB15092,LY-2624803,DrugBank,drug,CC(C)(CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=CC=CC=C12)C(O)=O,DRUG_4833
4834,4834,4834,4834,4834,4834,4834,4834,DB08363,1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine,DrugBank,drug,CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2,DRUG_4834
4835,4835,4835,4835,4835,4835,4835,4835,DB06192,Nimotuzumab,DrugBank,drug,,DRUG_4835
4836,4836,4836,4836,4836,4836,4836,4836,DB12718,Carlumab,DrugBank,drug,,DRUG_4836
4837,4837,4837,4837,4837,4837,4837,4837,DB08539,"3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1,DRUG_4837
4838,4838,4838,4838,4838,4838,4838,4838,DB01167,Itraconazole,DrugBank,drug,CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_4838
4839,4839,4839,4839,4839,4839,4839,4839,DB03092,5-Hydroxymethyl-Chonduritol,DrugBank,drug,[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,DRUG_4839
4840,4840,4840,4840,4840,4840,4840,4840,DB16703,Belumosudil,DrugBank,drug,CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1,DRUG_4840
4841,4841,4841,4841,4841,4841,4841,4841,DB17041,PD-173952,DrugBank,drug,CN1C(=O)C(=CC2=CNC(=NC3=CC=C(C=C3)N3CCOCC3)N=C12)C1=C(Cl)C=CC=C1Cl,DRUG_4841
4842,4842,4842,4842,4842,4842,4842,4842,DB07763,"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE",DrugBank,drug,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F,DRUG_4842
4843,4843,4843,4843,4843,4843,4843,4843,DB05451,P54,DrugBank,drug,,DRUG_4843
4844,4844,4844,4844,4844,4844,4844,4844,DB13041,Odalasvir,DrugBank,drug,COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C1=NC2=CC=C(C=C2N1)C1=CC2=CC=C1CCC1=CC=C(CC2)C(=C1)C1=CC=C2N=C(NC2=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)OC)C(C)C,DRUG_4844
4845,4845,4845,4845,4845,4845,4845,4845,DB11274,Dihydro-alpha-ergocryptine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,DRUG_4845
4846,4846,4846,4846,4846,4846,4846,4846,DB05779,Oglufanide,DrugBank,drug,N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,DRUG_4846
4847,4847,4847,4847,4847,4847,4847,4847,DB09369,Polyestradiol phosphate,DrugBank,drug,,DRUG_4847
4848,4848,4848,4848,4848,4848,4848,4848,DB00900,Didanosine,DrugBank,drug,OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O,DRUG_4848
4849,4849,4849,4849,4849,4849,4849,4849,DB09076,Umeclidinium,DrugBank,drug,OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2,DRUG_4849
4850,4850,4850,4850,4850,4850,4850,4850,DB07007,"(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",DrugBank,drug,[H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1,DRUG_4850
4851,4851,4851,4851,4851,4851,4851,4851,DB03270,"2,6-Difluorobenzenesulfonamide",DrugBank,drug,NS(=O)(=O)C1=C(F)C=CC=C1F,DRUG_4851
4852,4852,4852,4852,4852,4852,4852,4852,DB01051,Novobiocin,DrugBank,drug,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C,DRUG_4852
4853,4853,4853,4853,4853,4853,4853,4853,DB09068,Vortioxetine,DrugBank,drug,CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1,DRUG_4853
4854,4854,4854,4854,4854,4854,4854,4854,DB06518,R-1487,DrugBank,drug,CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2,DRUG_4854
4855,4855,4855,4855,4855,4855,4855,4855,DB00935,Oxymetazoline,DrugBank,drug,CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C,DRUG_4855
4856,4856,4856,4856,4856,4856,4856,4856,DB03796,Palmitic Acid,DrugBank,drug,CCCCCCCCCCCCCCCC(O)=O,DRUG_4856
4857,4857,4857,4857,4857,4857,4857,4857,DB07454,(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,DrugBank,drug,C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,DRUG_4857
4858,4858,4858,4858,4858,4858,4858,4858,DB09205,Moxisylyte,DrugBank,drug,CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1,DRUG_4858
4859,4859,4859,4859,4859,4859,4859,4859,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",DrugBank,drug,[H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2,DRUG_4859
4860,4860,4860,4860,4860,4860,4860,4860,DB13249,Magnesium silicate,DrugBank,drug,[O--].[O--].[O--].[Mg++].[Si+4],DRUG_4860
4861,4861,4861,4861,4861,4861,4861,4861,DB06663,Pasireotide,DrugBank,drug,NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1,DRUG_4861
4862,4862,4862,4862,4862,4862,4862,4862,DB08247,6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE,DrugBank,drug,CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1,DRUG_4862
4863,4863,4863,4863,4863,4863,4863,4863,DB01235,Levodopa,DrugBank,drug,N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O,DRUG_4863
4864,4864,4864,4864,4864,4864,4864,4864,DB14483,Calcium ascorbate,DrugBank,drug,[Ca++].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-],DRUG_4864
4865,4865,4865,4865,4865,4865,4865,4865,DB15168,Cilofexor,DrugBank,drug,OC(=O)C1=CC=NC(=C1)N1CC(O)(C1)C1=C(Cl)C=C(OCC2=C(ON=C2C2=C(Cl)C=CC=C2Cl)C2CC2)C=C1,DRUG_4865
4866,4866,4866,4866,4866,4866,4866,4866,DB11540,Propiopromazine,DrugBank,drug,CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN(C)C)C2=C1,DRUG_4866
4867,4867,4867,4867,4867,4867,4867,4867,DB13835,Caroverine,DrugBank,drug,CCN(CC)CCN1C(=O)C(CC2=CC=C(OC)C=C2)=NC2=CC=CC=C12,DRUG_4867
4868,4868,4868,4868,4868,4868,4868,4868,DB08184,2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,DrugBank,drug,CC1=C(C=CC=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,DRUG_4868
4869,4869,4869,4869,4869,4869,4869,4869,DB01109,Heparin,DrugBank,drug,,DRUG_4869
4870,4870,4870,4870,4870,4870,4870,4870,DB14492,Potassium triiodide,DrugBank,drug,[K+].I[I-]I,DRUG_4870
4871,4871,4871,4871,4871,4871,4871,4871,DB03953,Thiocitrulline,DrugBank,drug,[H]N([H])[C@@H](CCCN([H])C(=S)N([H])[H])C(O)=O,DRUG_4871
4872,4872,4872,4872,4872,4872,4872,4872,DB07444,"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",DrugBank,drug,CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1,DRUG_4872
4873,4873,4873,4873,4873,4873,4873,4873,DB00443,Betamethasone,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4873
4874,4874,4874,4874,4874,4874,4874,4874,DB03878,N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide,DrugBank,drug,CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1,DRUG_4874
4875,4875,4875,4875,4875,4875,4875,4875,DB00837,Progabide,DrugBank,drug,OC(=N)CCCN=C(C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1,DRUG_4875
4876,4876,4876,4876,4876,4876,4876,4876,DB15985,Gamma-amino-beta-hydroxybutyric acid,DrugBank,drug,NCC(O)CC(O)=O,DRUG_4876
4877,4877,4877,4877,4877,4877,4877,4877,DB09407,Magnesium chloride,DrugBank,drug,[Mg++].[Cl-].[Cl-],DRUG_4877
4878,4878,4878,4878,4878,4878,4878,4878,DB12929,JNJ-39220675,DrugBank,drug,FC1=CC=C(OC2=CC=C(C=N2)C(=O)N2CCCN(CC2)C2CCC2)C=C1,DRUG_4878
4879,4879,4879,4879,4879,4879,4879,4879,DB14213,Perindoprilat,DrugBank,drug,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(O)=O)[C@@]1([H])CCCC2)C(O)=O,DRUG_4879
4880,4880,4880,4880,4880,4880,4880,4880,DB00311,Ethoxzolamide,DrugBank,drug,CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O,DRUG_4880
4881,4881,4881,4881,4881,4881,4881,4881,DB13759,Fenpiverinium,DrugBank,drug,C[N+]1(CCC(C(N)=O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1,DRUG_4881
4882,4882,4882,4882,4882,4882,4882,4882,DB15349,Sofituzumab vedotin,DrugBank,drug,,DRUG_4882
4883,4883,4883,4883,4883,4883,4883,4883,DB02824,N-Pyridoxyl-Glycine-5-Monophosphate,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O,DRUG_4883
4884,4884,4884,4884,4884,4884,4884,4884,DB14029,Furafylline,DrugBank,drug,FC1=C(C=C(C=N1)C1CC2CCC1N2)C1=CC=C(C=C1)C#N,DRUG_4884
4885,4885,4885,4885,4885,4885,4885,4885,DB00706,Tamsulosin,DrugBank,drug,CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O,DRUG_4885
4886,4886,4886,4886,4886,4886,4886,4886,DB12771,Hydroxytyrosol,DrugBank,drug,OCCC1=CC(O)=C(O)C=C1,DRUG_4886
4887,4887,4887,4887,4887,4887,4887,4887,DB07340,Reversine,DrugBank,drug,C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2,DRUG_4887
4888,4888,4888,4888,4888,4888,4888,4888,DB13486,Magnesium peroxide,DrugBank,drug,[Mg++].[O-][O-],DRUG_4888
4889,4889,4889,4889,4889,4889,4889,4889,DB11750,Clobetasol,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4889
4890,4890,4890,4890,4890,4890,4890,4890,DB13478,Meptazinol,DrugBank,drug,CCC1(CCCCN(C)C1)C1=CC(O)=CC=C1,DRUG_4890
4891,4891,4891,4891,4891,4891,4891,4891,DB10366,Poa pratensis pollen,DrugBank,drug,,DRUG_4891
4892,4892,4892,4892,4892,4892,4892,4892,DB01997,3-Bromo-7-Nitroindazole,DrugBank,drug,BrC1=NNC2=C1C=CC=C2N(=O)=O,DRUG_4892
4893,4893,4893,4893,4893,4893,4893,4893,DB08904,Certolizumab pegol,DrugBank,drug,,DRUG_4893
4894,4894,4894,4894,4894,4894,4894,4894,DB07889,"(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol",DrugBank,drug,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12,DRUG_4894
4895,4895,4895,4895,4895,4895,4895,4895,DB07670,"N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide",DrugBank,drug,CN(C1=CC=NN1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1,DRUG_4895
4896,4896,4896,4896,4896,4896,4896,4896,DB08984,Etofenamate,DrugBank,drug,OCCOCCOC(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F,DRUG_4896
4897,4897,4897,4897,4897,4897,4897,4897,DB13337,Pheneticillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C)OC1=CC=CC=C1)C(O)=O,DRUG_4897
4898,4898,4898,4898,4898,4898,4898,4898,DB17053,Scriptaid,DrugBank,drug,ONC(=O)CCCCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O,DRUG_4898
4899,4899,4899,4899,4899,4899,4899,4899,DB05325,INGN 225,DrugBank,drug,,DRUG_4899
4900,4900,4900,4900,4900,4900,4900,4900,DB02272,Porphobilinogen,DrugBank,drug,NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1,DRUG_4900
4901,4901,4901,4901,4901,4901,4901,4901,DB05092,CDP323,DrugBank,drug,,DRUG_4901
4902,4902,4902,4902,4902,4902,4902,4902,DB13449,Proxyphylline,DrugBank,drug,CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_4902
4903,4903,4903,4903,4903,4903,4903,4903,DB13604,Guanazodine,DrugBank,drug,NC(=N)NCC1CCCCCCN1,DRUG_4903
4904,4904,4904,4904,4904,4904,4904,4904,DB16911,AF-710B,DrugBank,drug,CC1SC2(CN1C(=O)CCC1=CNC3=C1C=CC=C3)CCN(C)CC2,DRUG_4904
4905,4905,4905,4905,4905,4905,4905,4905,DB00791,Uracil mustard,DrugBank,drug,ClCCN(CCCl)C1=CNC(=O)NC1=O,DRUG_4905
4906,4906,4906,4906,4906,4906,4906,4906,DB08257,4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID,DrugBank,drug,OC(=O)CCCNC(=O)NC1CCCCC1,DRUG_4906
4907,4907,4907,4907,4907,4907,4907,4907,DB07888,"3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER",DrugBank,drug,[H][C@]1(CC(=O)OC)CC(=NO1)C1=CC=C(O)C=C1,DRUG_4907
4908,4908,4908,4908,4908,4908,4908,4908,DB04655,Metoprine,DrugBank,drug,CC1=C(C(N)=NC(N)=N1)C1=CC(Cl)=C(Cl)C=C1,DRUG_4908
4909,4909,4909,4909,4909,4909,4909,4909,DB13287,Miocamycin,DrugBank,drug,,DRUG_4909
4910,4910,4910,4910,4910,4910,4910,4910,DB04792,"2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL",DrugBank,drug,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=C(C=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,DRUG_4910
4911,4911,4911,4911,4911,4911,4911,4911,DB06461,Squalamine,DrugBank,drug,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](CC[C@]4(C)[C@H]3CC[C@]12C)NCCCNCCCCN)OS(O)(=O)=O,DRUG_4911
4912,4912,4912,4912,4912,4912,4912,4912,DB02266,Flufenamic acid,DrugBank,drug,OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F,DRUG_4912
4913,4913,4913,4913,4913,4913,4913,4913,DB09273,Doxofylline,DrugBank,drug,CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O,DRUG_4913
4914,4914,4914,4914,4914,4914,4914,4914,DB14521,Silver cation,DrugBank,drug,[Ag+],DRUG_4914
4915,4915,4915,4915,4915,4915,4915,4915,DB12461,GLPG-0492,DrugBank,drug,CN1C(=O)N(C(=O)[C@@]1(CO)C1=CC=CC=C1)C1=CC=C(C#N)C(=C1)C(F)(F)F,DRUG_4915
4916,4916,4916,4916,4916,4916,4916,4916,DB04050,N-Propyl Isocyanide,DrugBank,drug,CCC[N+]#[C-],DRUG_4916
4917,4917,4917,4917,4917,4917,4917,4917,DB04829,Lysergic acid diethylamide,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC,DRUG_4917
4918,4918,4918,4918,4918,4918,4918,4918,DB12883,Eltoprazine,DrugBank,drug,C1CN(CCN1)C1=C2OCCOC2=CC=C1,DRUG_4918
4919,4919,4919,4919,4919,4919,4919,4919,DB04404,Allosamizoline,DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N(C)C,DRUG_4919
4920,4920,4920,4920,4920,4920,4920,4920,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",DrugBank,drug,OC(=O)C1=CC=CC(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)=C1,DRUG_4920
4921,4921,4921,4921,4921,4921,4921,4921,DB01332,Ceftizoxime,DrugBank,drug,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_4921
4922,4922,4922,4922,4922,4922,4922,4922,DB08927,Amperozide,DrugBank,drug,[H]N(CC)C(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1,DRUG_4922
4923,4923,4923,4923,4923,4923,4923,4923,DB13345,Dihydroergocristine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,DRUG_4923
4924,4924,4924,4924,4924,4924,4924,4924,DB01665,2H-Benzimidazol-2-amine,DrugBank,drug,NC1N=C2C=CC=CC2=N1,DRUG_4924
4925,4925,4925,4925,4925,4925,4925,4925,DB13744,Piromidic acid,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCCC1,DRUG_4925
4926,4926,4926,4926,4926,4926,4926,4926,DB01062,Oxybutynin,DrugBank,drug,CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,DRUG_4926
4927,4927,4927,4927,4927,4927,4927,4927,DB00299,Penciclovir,DrugBank,drug,NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2,DRUG_4927
4928,4928,4928,4928,4928,4928,4928,4928,DB00120,Phenylalanine,DrugBank,drug,N[C@@H](CC1=CC=CC=C1)C(O)=O,DRUG_4928
4929,4929,4929,4929,4929,4929,4929,4929,DB13075,Menaquinone 7,DrugBank,drug,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C,DRUG_4929
4930,4930,4930,4930,4930,4930,4930,4930,DB02451,B-nonylglucoside,DrugBank,drug,CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_4930
4931,4931,4931,4931,4931,4931,4931,4931,DB04743,Nimesulide,DrugBank,drug,CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O,DRUG_4931
4932,4932,4932,4932,4932,4932,4932,4932,DB07720,Epibatidine,DrugBank,drug,[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1,DRUG_4932
4933,4933,4933,4933,4933,4933,4933,4933,DB13016,LY-2300559,DrugBank,drug,CCCC1=C(OCC2=CC=C(C=C2)[C@H](O)C2=CC=CC(=C2)C(O)=O)C=CC(C(C)=O)=C1O,DRUG_4933
4934,4934,4934,4934,4934,4934,4934,4934,DB14895,Vibegron,DrugBank,drug,[H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C1=CC=CC=C1,DRUG_4934
4935,4935,4935,4935,4935,4935,4935,4935,DB11423,Lasalocid,DrugBank,drug,[H][C@@](C)(CCC1=C(C(O)=O)C(O)=C(C)C=C1)[C@]([H])(O)[C@]([H])(C)C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@](CC)(C[C@]1([H])C)[C@@]1([H])CC[C@](O)(CC)[C@]([H])(C)O1,DRUG_4935
4936,4936,4936,4936,4936,4936,4936,4936,DB04069,"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine",DrugBank,drug,NC1=NN=C2C(CCC3=CC=CC=C23)=C1,DRUG_4936
4937,4937,4937,4937,4937,4937,4937,4937,DB04485,Thymidine,DrugBank,drug,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,DRUG_4937
4938,4938,4938,4938,4938,4938,4938,4938,DB07895,ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID,DrugBank,drug,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O,DRUG_4938
4939,4939,4939,4939,4939,4939,4939,4939,DB13346,Bufexamac,DrugBank,drug,CCCCOC1=CC=C(CC(=O)NO)C=C1,DRUG_4939
4940,4940,4940,4940,4940,4940,4940,4940,DB12672,Icaritin,DrugBank,drug,COC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C(CC=C(C)C)=C2O1,DRUG_4940
4941,4941,4941,4941,4941,4941,4941,4941,DB11836,Sapanisertib,DrugBank,drug,CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1,DRUG_4941
4942,4942,4942,4942,4942,4942,4942,4942,DB07974,1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE,DrugBank,drug,CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1,DRUG_4942
4943,4943,4943,4943,4943,4943,4943,4943,DB06811,Polidocanol,DrugBank,drug,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,DRUG_4943
4944,4944,4944,4944,4944,4944,4944,4944,DB05284,CA4P,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1,DRUG_4944
4945,4945,4945,4945,4945,4945,4945,4945,DB18203,Cudetaxestat,DrugBank,drug,CCCN1C=C(C=N1)N1C(Cl)=C(SC2=CC=CC(C(O)=O)=C2F)C2=CC=C(Cl)C(F)=C12,DRUG_4945
4946,4946,4946,4946,4946,4946,4946,4946,DB05249,FavId,DrugBank,drug,,DRUG_4946
4947,4947,4947,4947,4947,4947,4947,4947,DB05931,Pegdinetanib,DrugBank,drug,,DRUG_4947
4948,4948,4948,4948,4948,4948,4948,4948,DB01880,"3,4-Dihydroxycinnamic Acid",DrugBank,drug,OC(=O)\C=C\C1=CC(O)=C(O)C=C1,DRUG_4948
4949,4949,4949,4949,4949,4949,4949,4949,DB14851,Relatlimab,DrugBank,drug,,DRUG_4949
4950,4950,4950,4950,4950,4950,4950,4950,DB05017,YSIL6,DrugBank,drug,,DRUG_4950
4951,4951,4951,4951,4951,4951,4951,4951,DB12380,GDC-0152,DrugBank,drug,CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC1=C(N=NS1)C1=CC=CC=C1,DRUG_4951
4952,4952,4952,4952,4952,4952,4952,4952,DB01725,"2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide",DrugBank,drug,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1,DRUG_4952
4953,4953,4953,4953,4953,4953,4953,4953,DB02363,2'-Monophosphoadenosine-5'-Diphosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,DRUG_4953
4954,4954,4954,4954,4954,4954,4954,4954,DB01090,Pentolinium,DrugBank,drug,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,DRUG_4954
4955,4955,4955,4955,4955,4955,4955,4955,DB15219,Tomivosertib,DrugBank,drug,CC1=C2N(C(=O)C(NC3=CC(N)=NC=N3)=C1)C1(CCCCC1)NC2=O,DRUG_4955
4956,4956,4956,4956,4956,4956,4956,4956,DB08935,Obinutuzumab,DrugBank,drug,,DRUG_4956
4957,4957,4957,4957,4957,4957,4957,4957,DB13242,Bucladesine,DrugBank,drug,CCCC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC,DRUG_4957
4958,4958,4958,4958,4958,4958,4958,4958,DB00864,Tacrolimus,DrugBank,drug,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC,DRUG_4958
4959,4959,4959,4959,4959,4959,4959,4959,DB18107,SEL120-34A free base,DrugBank,drug,CC1=C2N=C(N3CCCC(=C23)C(Br)=C1Br)N1CCNCC1,DRUG_4959
4960,4960,4960,4960,4960,4960,4960,4960,DB06708,Lumefantrine,DrugBank,drug,CCCCN(CCCC)CC(O)C1=C2C(=CC(Cl)=C1)\C(=C/C1=CC=C(Cl)C=C1)C1=C2C=CC(Cl)=C1,DRUG_4960
4961,4961,4961,4961,4961,4961,4961,4961,DB02931,CoA-s-acetyl tryptamine,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_4961
4962,4962,4962,4962,4962,4962,4962,4962,DB12778,Rivipansel,DrugBank,drug,[H][C@@](CC1CCCCC1)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C[C@H](NC(=O)C3=CC(=O)NC(=O)N3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)NCCNC(=O)COCCOCC(=O)NC2=C3C(=CC(=C2)S(O)(=O)=O)C=C(C=C3S(O)(=O)=O)S(O)(=O)=O)[C@@H]1OC(=O)C1=CC=CC=C1)C(O)=O,DRUG_4962
4963,4963,4963,4963,4963,4963,4963,4963,DB16125,Ciforadenant,DrugBank,drug,CC1=CC=C(O1)C1=C2N=NN(CC3=CC=CC(CO[C@H]4CCOC4)=N3)C2=NC(N)=N1,DRUG_4963
4964,4964,4964,4964,4964,4964,4964,4964,DB01911,N-Methylmesoporphyrin,DrugBank,drug,CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C,DRUG_4964
4965,4965,4965,4965,4965,4965,4965,4965,DB13007,Enfortumab vedotin,DrugBank,drug,,DRUG_4965
4966,4966,4966,4966,4966,4966,4966,4966,DB00088,Alglucerase,DrugBank,drug,,DRUG_4966
4967,4967,4967,4967,4967,4967,4967,4967,DB00204,Dofetilide,DrugBank,drug,CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1,DRUG_4967
4968,4968,4968,4968,4968,4968,4968,4968,DB04387,1-Hydroxy-2-Amino-3-Cyclohexylpropane,DrugBank,drug,N[C@H](CO)CC1CCCCC1,DRUG_4968
4969,4969,4969,4969,4969,4969,4969,4969,DB07246,"(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE",DrugBank,drug,N[C@](CS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)NO)C(F)(F)F,DRUG_4969
4970,4970,4970,4970,4970,4970,4970,4970,DB15063,Inarigivir soproxil,DrugBank,drug,CO[C@@H]1[C@H](OP(=O)(OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C2N=CN=C3N)SCOC(=O)OC(C)C)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O,DRUG_4970
4971,4971,4971,4971,4971,4971,4971,4971,DB08791,"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE",DrugBank,drug,NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O,DRUG_4971
4972,4972,4972,4972,4972,4972,4972,4972,DB05296,Motexafin lutetium,DrugBank,drug,[Lu+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(\C=C3/N=C(/C=N/C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C4=N\C(=C/2)\C(CCCO)=C4C)C(C)=C3CCCO)=C1CC,DRUG_4972
4973,4973,4973,4973,4973,4973,4973,4973,DB14944,Tarloxotinib,DrugBank,drug,CN1C=NC(=C1C[N+](C)(C)C\C=C\C(=O)NC1=NC=C2N=CN=C(NC3=CC(Br)=C(Cl)C=C3)C2=C1)[N+]([O-])=O,DRUG_4973
4974,4974,4974,4974,4974,4974,4974,4974,DB11877,Basmisanil,DrugBank,drug,CC1=C(COC2=CC=C(C=N2)C(=O)N2CCS(=O)(=O)CC2)C(=NO1)C1=CC=C(F)C=C1,DRUG_4974
4975,4975,4975,4975,4975,4975,4975,4975,DB09336,Technetium Tc-99m nofetumomab merpentan,DrugBank,drug,,DRUG_4975
4976,4976,4976,4976,4976,4976,4976,4976,DB09099,Somatostatin,DrugBank,drug,C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O,DRUG_4976
4977,4977,4977,4977,4977,4977,4977,4977,DB00562,Benzthiazide,DrugBank,drug,NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O,DRUG_4977
4978,4978,4978,4978,4978,4978,4978,4978,DB06178,Talotrexin,DrugBank,drug,NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCNC(=O)C3=CC=CC=C3C(O)=O)C(O)=O)C=NC2=N1,DRUG_4978
4979,4979,4979,4979,4979,4979,4979,4979,DB14479,Acetylcysteine zinc,DrugBank,drug,[Zn++].CC(=O)N[C@@H](CS)C([O-])=O.CC(=O)N[C@@H](CS)C([O-])=O,DRUG_4979
4980,4980,4980,4980,4980,4980,4980,4980,DB02758,Indolepropionic acid,DrugBank,drug,OC(=O)CCC1=CNC2=CC=CC=C12,DRUG_4980
4981,4981,4981,4981,4981,4981,4981,4981,DB13385,Dihydroergocryptine,DrugBank,drug,,DRUG_4981
4982,4982,4982,4982,4982,4982,4982,4982,DB14640,Isoflupredone acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_4982
4983,4983,4983,4983,4983,4983,4983,4983,DB12400,Voxtalisib,DrugBank,drug,CCN1C(=O)C(=CC2=C(C)N=C(N)N=C12)C1=CC=NN1,DRUG_4983
4984,4984,4984,4984,4984,4984,4984,4984,DB14517,Aluminium phosphate,DrugBank,drug,[Al+3].[O-]P([O-])([O-])=O,DRUG_4984
4985,4985,4985,4985,4985,4985,4985,4985,DB07913,HOMOPHENYLALANINYLMETHANE,DrugBank,drug,[H][C@](N)(CCC1=CC=CC=C1)C(C)=O,DRUG_4985
4986,4986,4986,4986,4986,4986,4986,4986,DB08430,PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_4986
4987,4987,4987,4987,4987,4987,4987,4987,DB08887,Icosapent ethyl,DrugBank,drug,CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,DRUG_4987
4988,4988,4988,4988,4988,4988,4988,4988,DB11723,Dutogliptin,DrugBank,drug,OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1,DRUG_4988
4989,4989,4989,4989,4989,4989,4989,4989,DB08604,Triclosan,DrugBank,drug,OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1,DRUG_4989
4990,4990,4990,4990,4990,4990,4990,4990,DB00534,Chlormerodrin,DrugBank,drug,COC(CNC(N)=O)C[Hg]Cl,DRUG_4990
4991,4991,4991,4991,4991,4991,4991,4991,DB16048,BTRX-246040,DrugBank,drug,CC1=NN(C=C1CN1CCC2(CC1)OCC(F)(F)C1=C2SC(Cl)=C1)C1=NC=CC=C1CO,DRUG_4991
4992,4992,4992,4992,4992,4992,4992,4992,DB11739,Vonoprazan,DrugBank,drug,CNCC1=CN(C(=C1)C1=CC=CC=C1F)S(=O)(=O)C1=CC=CN=C1,DRUG_4992
4993,4993,4993,4993,4993,4993,4993,4993,DB03137,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine",DrugBank,drug,COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1,DRUG_4993
4994,4994,4994,4994,4994,4994,4994,4994,DB00417,Phenoxymethylpenicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O,DRUG_4994
4995,4995,4995,4995,4995,4995,4995,4995,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",DrugBank,drug,[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,DRUG_4995
4996,4996,4996,4996,4996,4996,4996,4996,DB08971,Fluocortolone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_4996
4997,4997,4997,4997,4997,4997,4997,4997,DB04914,G17DT Immunogen,DrugBank,drug,,DRUG_4997
4998,4998,4998,4998,4998,4998,4998,4998,DB01148,Flavoxate,DrugBank,drug,CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1,DRUG_4998
4999,4999,4999,4999,4999,4999,4999,4999,DB12699,Balugrastim,DrugBank,drug,,DRUG_4999
5000,5000,5000,5000,5000,5000,5000,5000,DB07328,"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE",DrugBank,drug,[H][C@]1(CNC(=O)NC2=CC=C(C=C2)C(=O)OC)CC[C@]([H])(N1)C(=O)N1CCC[C@@]1([H])CN,DRUG_5000
5001,5001,5001,5001,5001,5001,5001,5001,DB15394,gamma-Tocopherol,DrugBank,drug,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2,DRUG_5001
5002,5002,5002,5002,5002,5002,5002,5002,DB08820,Ivacaftor,DrugBank,drug,CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C,DRUG_5002
5003,5003,5003,5003,5003,5003,5003,5003,DB00357,Aminoglutethimide,DrugBank,drug,CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1,DRUG_5003
5004,5004,5004,5004,5004,5004,5004,5004,DB15124,PF-05241328,DrugBank,drug,CC(C)COC1=NC=C(C=C1Cl)N1N=C(C)C2=C1C=CC(=C2)C(=O)NS(C)(=O)=O,DRUG_5004
5005,5005,5005,5005,5005,5005,5005,5005,DB00343,Diltiazem,DrugBank,drug,COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O,DRUG_5005
5006,5006,5006,5006,5006,5006,5006,5006,DB03268,RU82197,DrugBank,drug,CC(=O)N[C@@H](CC1=CC(C=O)=C(C=C1)C(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_5006
5007,5007,5007,5007,5007,5007,5007,5007,DB16708,Cipaglucosidase alfa,DrugBank,drug,,DRUG_5007
5008,5008,5008,5008,5008,5008,5008,5008,DB17166,Tapotoclax,DrugBank,drug,CO[C@H]1\C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)C2=CC3=C(OC[C@]4(CCCC5=C4C=CC(Cl)=C5)CN3C[C@@H]3CC[C@@H]13)C=C2,DRUG_5008
5009,5009,5009,5009,5009,5009,5009,5009,DB00912,Repaglinide,DrugBank,drug,CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O,DRUG_5009
5010,5010,5010,5010,5010,5010,5010,5010,DB13787,Tilidine,DrugBank,drug,CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1,DRUG_5010
5011,5011,5011,5011,5011,5011,5011,5011,DB06586,Cetilistat,DrugBank,drug,CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C)C=C2)C(=O)O1,DRUG_5011
5012,5012,5012,5012,5012,5012,5012,5012,DB07500,(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one,DrugBank,drug,COC1=CC(O)=C(C=C1CC=C(C)C)C(=O)\C=C\C1=CC=C(O)C=C1,DRUG_5012
5013,5013,5013,5013,5013,5013,5013,5013,DB14936,Menaquinone 6,DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,DRUG_5013
5014,5014,5014,5014,5014,5014,5014,5014,DB02559,"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine",DrugBank,drug,[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2,DRUG_5014
5015,5015,5015,5015,5015,5015,5015,5015,DB08005,4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide,DrugBank,drug,CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1,DRUG_5015
5016,5016,5016,5016,5016,5016,5016,5016,DB16146,Dynorphin,DrugBank,drug,[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O,DRUG_5016
5017,5017,5017,5017,5017,5017,5017,5017,DB00946,Phenprocoumon,DrugBank,drug,CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_5017
5018,5018,5018,5018,5018,5018,5018,5018,DB02021,Fidarestat,DrugBank,drug,NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2,DRUG_5018
5019,5019,5019,5019,5019,5019,5019,5019,DB11961,AZD-1236,DrugBank,drug,C[C@]1(CS(=O)(=O)N2CCC(CC2)OC2=CC=C(Cl)C=N2)NC(=O)NC1=O,DRUG_5019
5020,5020,5020,5020,5020,5020,5020,5020,DB13610,Flumedroxone,DrugBank,drug,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F,DRUG_5020
5021,5021,5021,5021,5021,5021,5021,5021,DB03220,FR-234938,DrugBank,drug,C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O,DRUG_5021
5022,5022,5022,5022,5022,5022,5022,5022,DB16580,Afimetoran,DrugBank,drug,CC(C)C1=C(NC2=CC=C(C=C12)C1CCN(CC(N)=O)CC1)C1=CN2N=CN=C2C(C)=C1C,DRUG_5022
5023,5023,5023,5023,5023,5023,5023,5023,DB08480,4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN,DrugBank,drug,[H][C@]1(CCC2=C1C=CC=C2O)\N=C\C=C,DRUG_5023
5024,5024,5024,5024,5024,5024,5024,5024,DB15626,Spesolimab,DrugBank,drug,,DRUG_5024
5025,5025,5025,5025,5025,5025,5025,5025,DB14754,Solriamfetol,DrugBank,drug,N[C@@H](COC(N)=O)CC1=CC=CC=C1,DRUG_5025
5026,5026,5026,5026,5026,5026,5026,5026,DB12268,Carmegliptin,DrugBank,drug,[H][C@@]1(CF)CN(C(=O)C1)[C@@]1([H])CN2CCC3=CC(OC)=C(OC)C=C3[C@]2([H])C[C@]1([H])N,DRUG_5026
5027,5027,5027,5027,5027,5027,5027,5027,DB01195,Flecainide,DrugBank,drug,FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1,DRUG_5027
5028,5028,5028,5028,5028,5028,5028,5028,DB04575,Quinestrol,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3,DRUG_5028
5029,5029,5029,5029,5029,5029,5029,5029,DB15351,Dihematoporphyrin ether,DrugBank,drug,CC(O)C1=C(C)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C)=C4C(C)OC(C)C1=C2NC(\C=C4/N=C(/C=C5\N\C(=C/C6=N/C(=C\2)/C(C)=C6C(C)O)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)=C1C)/C(CCC(O)=O)=C3C,DRUG_5029
5030,5030,5030,5030,5030,5030,5030,5030,DB02483,Etheno-NAD,DrugBank,drug,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN2C=CN=C32)[C@@H](O)[C@H]1O,DRUG_5030
5031,5031,5031,5031,5031,5031,5031,5031,DB16778,Lutetium Lu-177 vipivotide tetraxetan,DrugBank,drug,,DRUG_5031
5032,5032,5032,5032,5032,5032,5032,5032,DB06691,Mepyramine,DrugBank,drug,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1,DRUG_5032
5033,5033,5033,5033,5033,5033,5033,5033,DB07330,A-620223,DrugBank,drug,CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1,DRUG_5033
5034,5034,5034,5034,5034,5034,5034,5034,DB06926,"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",DrugBank,drug,CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,DRUG_5034
5035,5035,5035,5035,5035,5035,5035,5035,DB08784,2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID,DrugBank,drug,OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1,DRUG_5035
5036,5036,5036,5036,5036,5036,5036,5036,DB18096,Encaleret,DrugBank,drug,C[C@@H](OC[C@H](O)CNC(C)(C)CC1=CC=C(Cl)C(F)=C1)C1=CC=CC=C1C1=CC=C(C(O)=O)C(C)=C1,DRUG_5036
5037,5037,5037,5037,5037,5037,5037,5037,DB02379,Beta-D-Glucose,DrugBank,drug,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_5037
5038,5038,5038,5038,5038,5038,5038,5038,DB03977,Trimethyllysine,DrugBank,drug,C[N+](C)(C)CCCC[C@H](N)C(O)=O,DRUG_5038
5039,5039,5039,5039,5039,5039,5039,5039,DB06582,Dextofisopam,DrugBank,drug,CC[C@@H]1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC=C(OC)C(OC)=C1,DRUG_5039
5040,5040,5040,5040,5040,5040,5040,5040,DB04178,Di-Stearoyl-3-Sn-Phosphatidylcholine,DrugBank,drug,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,DRUG_5040
5041,5041,5041,5041,5041,5041,5041,5041,DB01811,"3h-Indole-5,6-Diol",DrugBank,drug,OC1=C(O)C=C2C=CNC2=C1,DRUG_5041
5042,5042,5042,5042,5042,5042,5042,5042,DB18788,Ulixacaltamide,DrugBank,drug,CC(C)(C)NC(=O)CN1CCC(CNC(=O)C2=CC(F)=CC(Cl)=C2)CC1,DRUG_5042
5043,5043,5043,5043,5043,5043,5043,5043,DB11288,Borneol,DrugBank,drug,CC1(C)C2CCC1(C)C(O)C2,DRUG_5043
5044,5044,5044,5044,5044,5044,5044,5044,DB04187,"(9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@]1([H])[C@@H](O)C2=CC=CC=C2C2=CC=CC=C12)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_5044
5045,5045,5045,5045,5045,5045,5045,5045,DB08849,Nipecotic acid,DrugBank,drug,OC(=O)C1CCCNC1,DRUG_5045
5046,5046,5046,5046,5046,5046,5046,5046,DB03058,2-Aminobenzyl alcohol,DrugBank,drug,NC1=CC=CC=C1CO,DRUG_5046
5047,5047,5047,5047,5047,5047,5047,5047,DB14641,Estriol tripropionate,DrugBank,drug,[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC,DRUG_5047
5048,5048,5048,5048,5048,5048,5048,5048,DB07016,"(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline",DrugBank,drug,[H][C@]1(C)CNC2=C(C1)C=CC=C2S(=O)=O,DRUG_5048
5049,5049,5049,5049,5049,5049,5049,5049,DB04857,Brasofensine,DrugBank,drug,[H][C@@]12CC[C@@]([H])(N1C)[C@]([H])(\C=N\OC)[C@H](C2)C1=CC(Cl)=C(Cl)C=C1,DRUG_5049
5050,5050,5050,5050,5050,5050,5050,5050,DB07175,N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide,DrugBank,drug,CC1=CC=C(NC2=CC(=NC=N2)C2=CC=CC=C2)C=C1NS(C)(=O)=O,DRUG_5050
5051,5051,5051,5051,5051,5051,5051,5051,DB02010,Staurosporine,DrugBank,drug,[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC,DRUG_5051
5052,5052,5052,5052,5052,5052,5052,5052,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",DrugBank,drug,[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1,DRUG_5052
5053,5053,5053,5053,5053,5053,5053,5053,DB08231,Myristic acid,DrugBank,drug,CCCCCCCCCCCCCC(O)=O,DRUG_5053
5054,5054,5054,5054,5054,5054,5054,5054,DB02323,EM-1745,DrugBank,drug,[H][C@]1(CCCCCCCCC(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])O,DRUG_5054
5055,5055,5055,5055,5055,5055,5055,5055,DB01396,Digitoxin,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,DRUG_5055
5056,5056,5056,5056,5056,5056,5056,5056,DB18315,Zagociguat,DrugBank,drug,FC1=CC=CC=C1CC1=NC(=CN2C=CN=C12)C1=NC(=NN1)C(F)(F)F,DRUG_5056
5057,5057,5057,5057,5057,5057,5057,5057,DB13215,Sulfobromophthalein,DrugBank,drug,OC1=CC=C(C=C1S(O)(=O)=O)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC(=C(O)C=C1)S(O)(=O)=O,DRUG_5057
5058,5058,5058,5058,5058,5058,5058,5058,DB03940,Oxamic Acid,DrugBank,drug,NC(=O)C(O)=O,DRUG_5058
5059,5059,5059,5059,5059,5059,5059,5059,DB00673,Aprepitant,DrugBank,drug,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_5059
5060,5060,5060,5060,5060,5060,5060,5060,DB09056,Amorolfine,DrugBank,drug,[H]C(C)(CN1C[C@]([H])(C)O[C@]([H])(C)C1)CC1=CC=C(C=C1)C(C)(C)CC,DRUG_5060
5061,5061,5061,5061,5061,5061,5061,5061,DB15295,Tenalisib,DrugBank,drug,CC[C@H](NC1=C2N=CNC2=NC=N1)C1=C(C(=O)C2=CC=CC=C2O1)C1=CC=CC(F)=C1,DRUG_5061
5062,5062,5062,5062,5062,5062,5062,5062,DB08981,Fenbufen,DrugBank,drug,OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_5062
5063,5063,5063,5063,5063,5063,5063,5063,DB07032,2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL,DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2,DRUG_5063
5064,5064,5064,5064,5064,5064,5064,5064,DB16447,Thymoquinone,DrugBank,drug,CC(C)C1=CC(=O)C(C)=CC1=O,DRUG_5064
5065,5065,5065,5065,5065,5065,5065,5065,DB05316,Pimavanserin,DrugBank,drug,CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1,DRUG_5065
5066,5066,5066,5066,5066,5066,5066,5066,DB03783,Phenacetin,DrugBank,drug,CCOC1=CC=C(NC(C)=O)C=C1,DRUG_5066
5067,5067,5067,5067,5067,5067,5067,5067,DB12415,Galeterone,DrugBank,drug,[H][C@@]12CC=C(N3C=NC4=CC=CC=C34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,DRUG_5067
5068,5068,5068,5068,5068,5068,5068,5068,DB00536,Guanidine,DrugBank,drug,NC(N)=N,DRUG_5068
5069,5069,5069,5069,5069,5069,5069,5069,DB06319,XP21279,DrugBank,drug,,DRUG_5069
5070,5070,5070,5070,5070,5070,5070,5070,DB08037,MK-0731,DrugBank,drug,CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,DRUG_5070
5071,5071,5071,5071,5071,5071,5071,5071,DB07855,(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,DrugBank,drug,[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,DRUG_5071
5072,5072,5072,5072,5072,5072,5072,5072,DB15381,Menaquinone,DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,DRUG_5072
5073,5073,5073,5073,5073,5073,5073,5073,DB11618,Zorubicin,DrugBank,drug,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(C)=NNC(=O)C1=CC=CC=C1)O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,DRUG_5073
5074,5074,5074,5074,5074,5074,5074,5074,DB08325,2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol,DrugBank,drug,[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1,DRUG_5074
5075,5075,5075,5075,5075,5075,5075,5075,DB16780,Eladocagene exuparvovec,DrugBank,drug,,DRUG_5075
5076,5076,5076,5076,5076,5076,5076,5076,DB03317,Ferroheme C,DrugBank,drug,CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O,DRUG_5076
5077,5077,5077,5077,5077,5077,5077,5077,DB06712,Nilvadipine,DrugBank,drug,COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N,DRUG_5077
5078,5078,5078,5078,5078,5078,5078,5078,DB05298,Tetomilast,DrugBank,drug,CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O,DRUG_5078
5079,5079,5079,5079,5079,5079,5079,5079,DB06554,Gaboxadol,DrugBank,drug,O=C1NOC2=C1CCNC2,DRUG_5079
5080,5080,5080,5080,5080,5080,5080,5080,DB00860,Prednisolone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_5080
5081,5081,5081,5081,5081,5081,5081,5081,DB12849,Clazakizumab,DrugBank,drug,,DRUG_5081
5082,5082,5082,5082,5082,5082,5082,5082,DB04845,Ixabepilone,DrugBank,drug,[H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\C1=CSC(C)=N1,DRUG_5082
5083,5083,5083,5083,5083,5083,5083,5083,DB16318,Romilkimab,DrugBank,drug,,DRUG_5083
5084,5084,5084,5084,5084,5084,5084,5084,DB04926,Neramexane,DrugBank,drug,CC1(C)CC(C)(C)CC(C)(N)C1,DRUG_5084
5085,5085,5085,5085,5085,5085,5085,5085,DB00778,Roxithromycin,DrugBank,drug,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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,DRUG_5085
5086,5086,5086,5086,5086,5086,5086,5086,DB04800,1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID,DrugBank,drug,CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1,DRUG_5086
5087,5087,5087,5087,5087,5087,5087,5087,DB05188,KD3010,DrugBank,drug,CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O,DRUG_5087
5088,5088,5088,5088,5088,5088,5088,5088,DB08236,"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one",DrugBank,drug,[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1,DRUG_5088
5089,5089,5089,5089,5089,5089,5089,5089,DB03731,S-2-(Boronoethyl)-L-Cysteine,DrugBank,drug,[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O,DRUG_5089
5090,5090,5090,5090,5090,5090,5090,5090,DB08373,"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL",DrugBank,drug,CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O,DRUG_5090
5091,5091,5091,5091,5091,5091,5091,5091,DB03461,Nicotinamide adenine dinucleotide phosphate,DrugBank,drug,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,DRUG_5091
5092,5092,5092,5092,5092,5092,5092,5092,DB12014,Ozoralizumab,DrugBank,drug,,DRUG_5092
5093,5093,5093,5093,5093,5093,5093,5093,DB15130,Dexpramipexole,DrugBank,drug,CCCN[C@@H]1CCC2=C(C1)SC(N)=N2,DRUG_5093
5094,5094,5094,5094,5094,5094,5094,5094,DB11063,Polysorbate 80,DrugBank,drug,,DRUG_5094
5095,5095,5095,5095,5095,5095,5095,5095,DB12151,Brincidofovir,DrugBank,drug,CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](CO)CN1C=CC(N)=NC1=O,DRUG_5095
5096,5096,5096,5096,5096,5096,5096,5096,DB14992,Pegunigalsidase alfa,DrugBank,drug,,DRUG_5096
5097,5097,5097,5097,5097,5097,5097,5097,DB07497,"5-(hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-yl)pentanal",DrugBank,drug,[H]N1C(=O)N([H])[C@]2([H])[C@H](CCCCC=O)SC[C@]12[H],DRUG_5097
5098,5098,5098,5098,5098,5098,5098,5098,DB02442,Dioxyselenocysteine,DrugBank,drug,[H][C@](N)(C[SeH](=O)=O)C(O)=O,DRUG_5098
5099,5099,5099,5099,5099,5099,5099,5099,DB03807,"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DrugBank,drug,CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1,DRUG_5099
5100,5100,5100,5100,5100,5100,5100,5100,DB06008,ATHX-105,DrugBank,drug,,DRUG_5100
5101,5101,5101,5101,5101,5101,5101,5101,DB07795,Fisetin,DrugBank,drug,OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,DRUG_5101
5102,5102,5102,5102,5102,5102,5102,5102,DB15873,Copper oxodotreotide Cu-64,DrugBank,drug,[64Cu++].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,DRUG_5102
5103,5103,5103,5103,5103,5103,5103,5103,DB02424,Geldanamycin,DrugBank,drug,CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,DRUG_5103
5104,5104,5104,5104,5104,5104,5104,5104,DB03981,"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid",DrugBank,drug,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O,DRUG_5104
5105,5105,5105,5105,5105,5105,5105,5105,DB14782,Tofersen,DrugBank,drug,,DRUG_5105
5106,5106,5106,5106,5106,5106,5106,5106,DB09009,Articaine,DrugBank,drug,CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC,DRUG_5106
5107,5107,5107,5107,5107,5107,5107,5107,DB15489,Mexazolam,DrugBank,drug,CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl,DRUG_5107
5108,5108,5108,5108,5108,5108,5108,5108,DB12027,Serdemetan,DrugBank,drug,C(CC1=CNC2=CC=CC=C12)NC1=CC=C(NC2=CC=NC=C2)C=C1,DRUG_5108
5109,5109,5109,5109,5109,5109,5109,5109,DB15444,Elexacaftor,DrugBank,drug,C[C@@H]1CN(C2=NC(=CC=C2C(=O)NS(=O)(=O)C2=CN(C)N=C2C)N2C=CC(OCC(C)(C)C(F)(F)F)=N2)C(C)(C)C1,DRUG_5109
5110,5110,5110,5110,5110,5110,5110,5110,DB11898,"2,4-thiazolidinedione",DrugBank,drug,O=C1CSC(=O)N1,DRUG_5110
5111,5111,5111,5111,5111,5111,5111,5111,DB05183,MLN0415,DrugBank,drug,,DRUG_5111
5112,5112,5112,5112,5112,5112,5112,5112,DB00167,Isoleucine,DrugBank,drug,CC[C@H](C)[C@H](N)C(O)=O,DRUG_5112
5113,5113,5113,5113,5113,5113,5113,5113,DB07616,"4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid",DrugBank,drug,CC1=CC(=CC=C1F)C1=CSC(NC2=CC=C(C(O)=O)C(O)=C2)=N1,DRUG_5113
5114,5114,5114,5114,5114,5114,5114,5114,DB12386,Bacillus calmette-guerin substrain danish 1331 live antigen,DrugBank,drug,,DRUG_5114
5115,5115,5115,5115,5115,5115,5115,5115,DB01356,Lithium cation,DrugBank,drug,[Li+],DRUG_5115
5116,5116,5116,5116,5116,5116,5116,5116,DB08118,"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",DrugBank,drug,CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1,DRUG_5116
5117,5117,5117,5117,5117,5117,5117,5117,DB12191,Obatoclax,DrugBank,drug,COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1,DRUG_5117
5118,5118,5118,5118,5118,5118,5118,5118,DB03337,1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea,DrugBank,drug,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1,DRUG_5118
5119,5119,5119,5119,5119,5119,5119,5119,DB03926,"5alpha-androstane-3beta,17alpha-diol",DrugBank,drug,[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,DRUG_5119
5120,5120,5120,5120,5120,5120,5120,5120,DB07075,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE,DrugBank,drug,NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1,DRUG_5120
5121,5121,5121,5121,5121,5121,5121,5121,DB04761,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]",DrugBank,drug,O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1,DRUG_5121
5122,5122,5122,5122,5122,5122,5122,5122,DB02165,Zinc trihydroxide,DrugBank,drug,[Zn].[H]O[H].[H]O[H].[H]O[H],DRUG_5122
5123,5123,5123,5123,5123,5123,5123,5123,DB03103,Thymidine-5'- Diphosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,DRUG_5123
5124,5124,5124,5124,5124,5124,5124,5124,DB03201,D-Cysteine,DrugBank,drug,N[C@H](CS)C(O)=O,DRUG_5124
5125,5125,5125,5125,5125,5125,5125,5125,DB09073,Palbociclib,DrugBank,drug,CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O,DRUG_5125
5126,5126,5126,5126,5126,5126,5126,5126,DB13362,Pheneturide,DrugBank,drug,CCC(C(=O)NC(N)=O)C1=CC=CC=C1,DRUG_5126
5127,5127,5127,5127,5127,5127,5127,5127,DB04105,N-Heptylformamide,DrugBank,drug,CCCCCCCNC=O,DRUG_5127
5128,5128,5128,5128,5128,5128,5128,5128,DB01188,Ciclopirox,DrugBank,drug,CC1=CC(=O)N(O)C(=C1)C1CCCCC1,DRUG_5128
5129,5129,5129,5129,5129,5129,5129,5129,DB06730,Gestodene,DrugBank,drug,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,DRUG_5129
5130,5130,5130,5130,5130,5130,5130,5130,DB11972,Rilotumumab,DrugBank,drug,,DRUG_5130
5131,5131,5131,5131,5131,5131,5131,5131,DB13061,MLN8054,DrugBank,drug,OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1,DRUG_5131
5132,5132,5132,5132,5132,5132,5132,5132,DB01760,2-Methoxy-3-Isopropylpyrazine,DrugBank,drug,COC1=NC=CN=C1C(C)C,DRUG_5132
5133,5133,5133,5133,5133,5133,5133,5133,DB04949,Pexelizumab,DrugBank,drug,,DRUG_5133
5134,5134,5134,5134,5134,5134,5134,5134,DB01281,Abatacept,DrugBank,drug,,DRUG_5134
5135,5135,5135,5135,5135,5135,5135,5135,DB16695,Amivantamab,DrugBank,drug,,DRUG_5135
5136,5136,5136,5136,5136,5136,5136,5136,DB09414,Dipotassium phosphate,DrugBank,drug,[K+].[K+].OP([O-])([O-])=O,DRUG_5136
5137,5137,5137,5137,5137,5137,5137,5137,DB08125,"4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide",DrugBank,drug,O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,DRUG_5137
5138,5138,5138,5138,5138,5138,5138,5138,DB01303,Oxtriphylline,DrugBank,drug,C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O,DRUG_5138
5139,5139,5139,5139,5139,5139,5139,5139,DB00197,Troglitazone,DrugBank,drug,CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O,DRUG_5139
5140,5140,5140,5140,5140,5140,5140,5140,DB17074,Amiselimod,DrugBank,drug,CCCCCCCOC1=CC=C(CCC(N)(CO)CO)C=C1C(F)(F)F,DRUG_5140
5141,5141,5141,5141,5141,5141,5141,5141,DB02989,CRA_10972,DrugBank,drug,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=C(Cl)C(=C3)C(N)=N)=C1O,DRUG_5141
5142,5142,5142,5142,5142,5142,5142,5142,DB12568,Tecemotide,DrugBank,drug,,DRUG_5142
5143,5143,5143,5143,5143,5143,5143,5143,DB02195,"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine",DrugBank,drug,ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1,DRUG_5143
5144,5144,5144,5144,5144,5144,5144,5144,DB11885,Anlotinib,DrugBank,drug,COC1=CC2=C(OC3=CC=C4NC(C)=CC4=C3F)C=CN=C2C=C1OCC1(N)CC1,DRUG_5144
5145,5145,5145,5145,5145,5145,5145,5145,DB08744,Casimiroin,DrugBank,drug,COC1=CC(=O)N(C)C2=C3OCOC3=CC=C12,DRUG_5145
5146,5146,5146,5146,5146,5146,5146,5146,DB18368,Tiprelestat,DrugBank,drug,,DRUG_5146
5147,5147,5147,5147,5147,5147,5147,5147,DB00600,Monobenzone,DrugBank,drug,OC1=CC=C(OCC2=CC=CC=C2)C=C1,DRUG_5147
5148,5148,5148,5148,5148,5148,5148,5148,DB04451,4-Methylpiperazin-1-Yl Carbonyl Group,DrugBank,drug,CN1CCN(CC1)C(O)=O,DRUG_5148
5149,5149,5149,5149,5149,5149,5149,5149,DB07785,"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE",DrugBank,drug,[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O,DRUG_5149
5150,5150,5150,5150,5150,5150,5150,5150,DB19356,Carboprost,DrugBank,drug,CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_5150
5151,5151,5151,5151,5151,5151,5151,5151,DB07209,"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid",DrugBank,drug,[H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC,DRUG_5151
5152,5152,5152,5152,5152,5152,5152,5152,DB06433,Tezacitabine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)\C1=C/F,DRUG_5152
5153,5153,5153,5153,5153,5153,5153,5153,DB11114,Eucalyptus oil,DrugBank,drug,,DRUG_5153
5154,5154,5154,5154,5154,5154,5154,5154,DB08039,"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE",DrugBank,drug,CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1,DRUG_5154
5155,5155,5155,5155,5155,5155,5155,5155,DB14922,Tislelizumab,DrugBank,drug,,DRUG_5155
5156,5156,5156,5156,5156,5156,5156,5156,DB04493,Fructose-6-phosphate,DrugBank,drug,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_5156
5157,5157,5157,5157,5157,5157,5157,5157,DB12011,Fevipiprant,DrugBank,drug,CC1=C(CC(O)=O)C2=CC=CN=C2N1CC1=CC=C(C=C1C(F)(F)F)S(C)(=O)=O,DRUG_5157
5158,5158,5158,5158,5158,5158,5158,5158,DB08894,Peginesatide,DrugBank,drug,,DRUG_5158
5159,5159,5159,5159,5159,5159,5159,5159,DB13668,Ipidacrine,DrugBank,drug,NC1=C2CCCC2=NC2=C1CCCC2,DRUG_5159
5160,5160,5160,5160,5160,5160,5160,5160,DB11591,Bilastine,DrugBank,drug,CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1,DRUG_5160
5161,5161,5161,5161,5161,5161,5161,5161,DB16013,SER-100,DrugBank,drug,CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O,DRUG_5161
5162,5162,5162,5162,5162,5162,5162,5162,DB07647,"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL",DrugBank,drug,[H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,DRUG_5162
5163,5163,5163,5163,5163,5163,5163,5163,DB00690,Flurazepam,DrugBank,drug,CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,DRUG_5163
5164,5164,5164,5164,5164,5164,5164,5164,DB11661,Eptacog alfa pegol (activated),DrugBank,drug,,DRUG_5164
5165,5165,5165,5165,5165,5165,5165,5165,DB13550,Bifemelane,DrugBank,drug,CNCCCCOC1=CC=CC=C1CC1=CC=CC=C1,DRUG_5165
5166,5166,5166,5166,5166,5166,5166,5166,DB06870,Tetrahydrogestrinone,DrugBank,drug,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_5166
5167,5167,5167,5167,5167,5167,5167,5167,DB07202,6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE,DrugBank,drug,CC1=NOC(=C1)C1=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,DRUG_5167
5168,5168,5168,5168,5168,5168,5168,5168,DB11412,Fenthion,DrugBank,drug,COP(=S)(OC)OC1=CC=C(SC)C(C)=C1,DRUG_5168
5169,5169,5169,5169,5169,5169,5169,5169,DB04958,Epratuzumab,DrugBank,drug,,DRUG_5169
5170,5170,5170,5170,5170,5170,5170,5170,DB00949,Felbamate,DrugBank,drug,NC(=O)OCC(COC(N)=O)C1=CC=CC=C1,DRUG_5170
5171,5171,5171,5171,5171,5171,5171,5171,DB14779,LGD-6972,DrugBank,drug,CC1=CC(C)=C(C(C)=C1)C1=CC=C(NC(=O)[C@H](CC2=CC=C(C=C2)C(=O)NCCS(O)(=O)=O)C2=CC=C(C=C2)C2=CC=C(C=C2)C(C)(C)C)C=C1,DRUG_5171
5172,5172,5172,5172,5172,5172,5172,5172,DB08980,Fendiline,DrugBank,drug,CC(NCCC(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5172
5173,5173,5173,5173,5173,5173,5173,5173,DB11779,Danoprevir,DrugBank,drug,CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1CC2=CC=CC(F)=C2C1)C(=O)NS(=O)(=O)C1CC1,DRUG_5173
5174,5174,5174,5174,5174,5174,5174,5174,DB09045,Dulaglutide,DrugBank,drug,,DRUG_5174
5175,5175,5175,5175,5175,5175,5175,5175,DB06458,Remacemide,DrugBank,drug,CC(CC1=CC=CC=C1)(NC(=O)CN)C1=CC=CC=C1,DRUG_5175
5176,5176,5176,5176,5176,5176,5176,5176,DB00487,Pefloxacin,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,DRUG_5176
5177,5177,5177,5177,5177,5177,5177,5177,DB04437,"Cysteine-Methylene-Carbamoyl-1,10-Phenanthroline",DrugBank,drug,N[C@@H](CSCC(=O)NC1=CC2=C(N=CC=C2)C2=C1C=CC=N2)C(O)=O,DRUG_5177
5178,5178,5178,5178,5178,5178,5178,5178,DB03223,Diphthamide,DrugBank,drug,C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O,DRUG_5178
5179,5179,5179,5179,5179,5179,5179,5179,DB15488,Echinacoside,DrugBank,drug,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=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\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,DRUG_5179
5180,5180,5180,5180,5180,5180,5180,5180,DB13879,Glecaprevir,DrugBank,drug,[H][C@@]12CN(C(=O)[C@@]([H])(NC(=O)O[C@]3([H])CCC[C@@]3([H])OC\C=C\C(F)(F)C3=NC4=C(C=CC=C4)N=C3O1)C(C)(C)C)[C@@]([H])(C2)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1,DRUG_5180
5181,5181,5181,5181,5181,5181,5181,5181,DB03280,p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N4C=C(C)C(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_5181
5182,5182,5182,5182,5182,5182,5182,5182,DB12578,Lexaptepid pegol,DrugBank,drug,,DRUG_5182
5183,5183,5183,5183,5183,5183,5183,5183,DB12868,Intoplicine,DrugBank,drug,CN(C)CCCNC1=NC=C(C)C2=C1C1=C(N2)C=CC2=CC(O)=CC=C12,DRUG_5183
5184,5184,5184,5184,5184,5184,5184,5184,DB09086,Eugenol,DrugBank,drug,COC1=C(O)C=CC(CC=C)=C1,DRUG_5184
5185,5185,5185,5185,5185,5185,5185,5185,DB03706,1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CO)COC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,DRUG_5185
5186,5186,5186,5186,5186,5186,5186,5186,DB06451,Aprinocarsen,DrugBank,drug,,DRUG_5186
5187,5187,5187,5187,5187,5187,5187,5187,DB01175,Escitalopram,DrugBank,drug,CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,DRUG_5187
5188,5188,5188,5188,5188,5188,5188,5188,DB15120,GSK-239512,DrugBank,drug,O=C1CCCN1C1=CC=C(OC2=CC3=C(CCN(CC3)C3CCC3)C=C2)N=C1,DRUG_5188
5189,5189,5189,5189,5189,5189,5189,5189,DB00093,Felypressin,DrugBank,drug,,DRUG_5189
5190,5190,5190,5190,5190,5190,5190,5190,DB14596,Loteprednol etabonate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_5190
5191,5191,5191,5191,5191,5191,5191,5191,DB07306,ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,DrugBank,drug,CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1,DRUG_5191
5192,5192,5192,5192,5192,5192,5192,5192,DB14678,Norethindrone enanthate,DrugBank,drug,[H][C@@]12CC[C@@](OC(=O)CCCCCC)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_5192
5193,5193,5193,5193,5193,5193,5193,5193,DB08802,Isothipendyl,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C,DRUG_5193
5194,5194,5194,5194,5194,5194,5194,5194,DB12799,Laniquidar,DrugBank,drug,COC(=O)C1=CN=C2N1CCC1=CC=CC=C1C2=C1CCN(CCC2=CC=C(OCC3=CC=C4C=CC=CC4=N3)C=C2)CC1,DRUG_5194
5195,5195,5195,5195,5195,5195,5195,5195,DB07749,2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(C)=O)C=O,DRUG_5195
5196,5196,5196,5196,5196,5196,5196,5196,DB08374,Phenylalanylmethylchloride,DrugBank,drug,[H][C@](N)(CC1=CC=CC=C1)C(=O)CCl,DRUG_5196
5197,5197,5197,5197,5197,5197,5197,5197,DB01582,Sulfamethazine,DrugBank,drug,CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1,DRUG_5197
5198,5198,5198,5198,5198,5198,5198,5198,DB06808,Piperacetazine,DrugBank,drug,CC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1,DRUG_5198
5199,5199,5199,5199,5199,5199,5199,5199,DB04664,Cyclohexyl-pentyl-maltoside,DrugBank,drug,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,DRUG_5199
5200,5200,5200,5200,5200,5200,5200,5200,DB11783,Imidapril,DrugBank,drug,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1C(=O)N(C)C[C@@]1([H])C(O)=O,DRUG_5200
5201,5201,5201,5201,5201,5201,5201,5201,DB12274,Aducanumab,DrugBank,drug,,DRUG_5201
5202,5202,5202,5202,5202,5202,5202,5202,DB04509,N-Methylnaloxonium,DrugBank,drug,C[N@@+]1(CC=C)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35,DRUG_5202
5203,5203,5203,5203,5203,5203,5203,5203,DB04860,Isatoribine,DrugBank,drug,NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)S2,DRUG_5203
5204,5204,5204,5204,5204,5204,5204,5204,DB06983,"(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol",DrugBank,drug,OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1,DRUG_5204
5205,5205,5205,5205,5205,5205,5205,5205,DB08878,Aminopterin,DrugBank,drug,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(N)=N1,DRUG_5205
5206,5206,5206,5206,5206,5206,5206,5206,DB01826,N-Butyl Isocyanide,DrugBank,drug,CCCC[N+]#[C-],DRUG_5206
5207,5207,5207,5207,5207,5207,5207,5207,DB01074,Perhexiline,DrugBank,drug,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,DRUG_5207
5208,5208,5208,5208,5208,5208,5208,5208,DB02126,4-Carboxycinnamic Acid,DrugBank,drug,OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O,DRUG_5208
5209,5209,5209,5209,5209,5209,5209,5209,DB19088,Asundexian,DrugBank,drug,CC[C@H](N1C=C(OC)C(=CC1=O)C1=CC(Cl)=CC=C1N1C=C(N=N1)C(F)(F)F)C(=O)NC1=CC=C(C(N)=O)C(F)=C1,DRUG_5209
5210,5210,5210,5210,5210,5210,5210,5210,DB01536,Androstenedione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_5210
5211,5211,5211,5211,5211,5211,5211,5211,DB05792,Arylacenamide,DrugBank,drug,Cl.CCN(C\C=C/C1=CC(Cl)=C(C=C1)C1CCCCC1)C1CCCCC1,DRUG_5211
5212,5212,5212,5212,5212,5212,5212,5212,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,DrugBank,drug,NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)C(CC(O)=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O,DRUG_5212
5213,5213,5213,5213,5213,5213,5213,5213,DB00641,Simvastatin,DrugBank,drug,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC,DRUG_5213
5214,5214,5214,5214,5214,5214,5214,5214,DB00085,Pancrelipase,DrugBank,drug,,DRUG_5214
5215,5215,5215,5215,5215,5215,5215,5215,DB12120,Avoralstat,DrugBank,drug,COC1=CC(=C(C=C1C=C)C(=O)NC1=CC=C(C=C1)C(N)=N)C1=CC=C(N=C1C(O)=O)C(=O)NCC1CC1,DRUG_5215
5216,5216,5216,5216,5216,5216,5216,5216,DB19243,Padnarsertib,DrugBank,drug,NC1=CC=C(\C=C\C(=O)NCC2=CC3=CC(=CC(=C3O2)C2=CC=C(F)C=C2)C2=CC=C(C=C2)C(=O)N2CCC(F)(F)CC2)C=N1,DRUG_5216
5217,5217,5217,5217,5217,5217,5217,5217,DB00768,Olopatadine,DrugBank,drug,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2,DRUG_5217
5218,5218,5218,5218,5218,5218,5218,5218,DB00450,Droperidol,DrugBank,drug,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12,DRUG_5218
5219,5219,5219,5219,5219,5219,5219,5219,DB11652,Tucatinib,DrugBank,drug,CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1,DRUG_5219
5220,5220,5220,5220,5220,5220,5220,5220,DB04153,S-Hydroxymethyl Glutathione,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,DRUG_5220
5221,5221,5221,5221,5221,5221,5221,5221,DB15494,Edotreotide gallium Ga-68,DrugBank,drug,[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1,DRUG_5221
5222,5222,5222,5222,5222,5222,5222,5222,DB07447,5beta-dihydrotestosterone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,DRUG_5222
5223,5223,5223,5223,5223,5223,5223,5223,DB07959,3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE,DrugBank,drug,N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2,DRUG_5223
5224,5224,5224,5224,5224,5224,5224,5224,DB04672,"Cyclic 3',5'-thymidine monophosphate",DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O,DRUG_5224
5225,5225,5225,5225,5225,5225,5225,5225,DB08422,[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCNC1=CC=NC=C1,DRUG_5225
5226,5226,5226,5226,5226,5226,5226,5226,DB08864,Rilpivirine,DrugBank,drug,CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1,DRUG_5226
5227,5227,5227,5227,5227,5227,5227,5227,DB15258,Imlifidase,DrugBank,drug,,DRUG_5227
5228,5228,5228,5228,5228,5228,5228,5228,DB00930,Colesevelam,DrugBank,drug,,DRUG_5228
5229,5229,5229,5229,5229,5229,5229,5229,DB07435,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE",DrugBank,drug,[H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45,DRUG_5229
5230,5230,5230,5230,5230,5230,5230,5230,DB00315,Zolmitriptan,DrugBank,drug,CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12,DRUG_5230
5231,5231,5231,5231,5231,5231,5231,5231,DB10403,Agrostis gigantea pollen,DrugBank,drug,,DRUG_5231
5232,5232,5232,5232,5232,5232,5232,5232,DB17984,BQ-788,DrugBank,drug,[Na+].CCCC[C@@H](NC(=O)[C@@H](CC1=CN(C(=O)OC)C2=CC=CC=C12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C([O-])=O,DRUG_5232
5233,5233,5233,5233,5233,5233,5233,5233,DB08678,(4-ETHYLPHENYL)SULFAMIC ACID,DrugBank,drug,CCC1=CC=C(NS(O)(=O)=O)C=C1,DRUG_5233
5234,5234,5234,5234,5234,5234,5234,5234,DB08779,2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol,DrugBank,drug,CSC1=NC(O)=C(CC2=CC=CS2)N1,DRUG_5234
5235,5235,5235,5235,5235,5235,5235,5235,DB14019,Fosnetupitant,DrugBank,drug,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1,DRUG_5235
5236,5236,5236,5236,5236,5236,5236,5236,DB05304,Girentuximab,DrugBank,drug,,DRUG_5236
5237,5237,5237,5237,5237,5237,5237,5237,DB00236,Pipobroman,DrugBank,drug,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,DRUG_5237
5238,5238,5238,5238,5238,5238,5238,5238,DB02114,Cumidine,DrugBank,drug,CC(C)C1=CC=C(N)C=C1,DRUG_5238
5239,5239,5239,5239,5239,5239,5239,5239,DB04151,1-Methylhistidine,DrugBank,drug,CN1C=NC(C[C@H](N)C(O)=O)=C1,DRUG_5239
5240,5240,5240,5240,5240,5240,5240,5240,DB02644,N-omega-propyl-L-arginine,DrugBank,drug,[H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O,DRUG_5240
5241,5241,5241,5241,5241,5241,5241,5241,DB13605,Phenoperidine,DrugBank,drug,CCOC(=O)C1(CCN(CCC(O)C2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_5241
5242,5242,5242,5242,5242,5242,5242,5242,DB08808,Bupranolol,DrugBank,drug,CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1,DRUG_5242
5243,5243,5243,5243,5243,5243,5243,5243,DB02716,7-methyl-guanosine-5'-triphosphate,DrugBank,drug,C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,DRUG_5243
5244,5244,5244,5244,5244,5244,5244,5244,DB01234,Dexamethasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_5244
5245,5245,5245,5245,5245,5245,5245,5245,DB07767,Ferulic acid,DrugBank,drug,COC1=C(O)C=CC(\C=C\C(O)=O)=C1,DRUG_5245
5246,5246,5246,5246,5246,5246,5246,5246,DB06151,Acetylcysteine,DrugBank,drug,CC(=O)N[C@@H](CS)C(O)=O,DRUG_5246
5247,5247,5247,5247,5247,5247,5247,5247,DB07232,Veliparib,DrugBank,drug,C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1,DRUG_5247
5248,5248,5248,5248,5248,5248,5248,5248,DB15012,Farampator,DrugBank,drug,O=C(N1CCCCC1)C1=CC2=NON=C2C=C1,DRUG_5248
5249,5249,5249,5249,5249,5249,5249,5249,DB00815,Sodium lauryl sulfate,DrugBank,drug,[Na+].CCCCCCCCCCCCOS([O-])(=O)=O,DRUG_5249
5250,5250,5250,5250,5250,5250,5250,5250,DB09136,Isosulfan blue,DrugBank,drug,CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=CC(=CC=C1S(O)(=O)=O)S(O)(=O)=O,DRUG_5250
5251,5251,5251,5251,5251,5251,5251,5251,DB10404,Anthoxanthum odoratum pollen,DrugBank,drug,,DRUG_5251
5252,5252,5252,5252,5252,5252,5252,5252,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",DrugBank,drug,[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,DRUG_5252
5253,5253,5253,5253,5253,5253,5253,5253,DB07376,5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID),DrugBank,drug,CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O,DRUG_5253
5254,5254,5254,5254,5254,5254,5254,5254,DB11973,Tesevatinib,DrugBank,drug,COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1,DRUG_5254
5255,5255,5255,5255,5255,5255,5255,5255,DB04557,Arachidonic Acid,DrugBank,drug,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,DRUG_5255
5256,5256,5256,5256,5256,5256,5256,5256,DB11461,Sulfachlorpyridazine,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=NN=C(Cl)C=C1,DRUG_5256
5257,5257,5257,5257,5257,5257,5257,5257,DB07017,"(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one",DrugBank,drug,C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1,DRUG_5257
5258,5258,5258,5258,5258,5258,5258,5258,DB00135,Tyrosine,DrugBank,drug,[H][C@](N)(CC1=CC=C(O)C=C1)C(O)=O,DRUG_5258
5259,5259,5259,5259,5259,5259,5259,5259,DB00157,NADH,DrugBank,drug,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,DRUG_5259
5260,5260,5260,5260,5260,5260,5260,5260,DB15300,Hydroquinidine,DrugBank,drug,[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2CC)[C@@H](O)C1=CC=NC2=CC=C(OC)C=C12,DRUG_5260
5261,5261,5261,5261,5261,5261,5261,5261,DB00982,Isotretinoin,DrugBank,drug,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,DRUG_5261
5262,5262,5262,5262,5262,5262,5262,5262,DB00838,Clocortolone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_5262
5263,5263,5263,5263,5263,5263,5263,5263,DB06704,Iobenguane,DrugBank,drug,NC(N)=NCC1=CC(I)=CC=C1,DRUG_5263
5264,5264,5264,5264,5264,5264,5264,5264,DB11706,Vixotrigine,DrugBank,drug,NC(=O)[C@@H]1CC[C@@H](N1)C1=CC=C(OCC2=CC=CC=C2F)C=C1,DRUG_5264
5265,5265,5265,5265,5265,5265,5265,5265,DB03882,"5-Alpha-Androstane-3-Beta,17beta-Diol",DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,DRUG_5265
5266,5266,5266,5266,5266,5266,5266,5266,DB05317,TAK-475,DrugBank,drug,,DRUG_5266
5267,5267,5267,5267,5267,5267,5267,5267,DB01240,Epoprostenol,DrugBank,drug,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O,DRUG_5267
5268,5268,5268,5268,5268,5268,5268,5268,DB04818,Iproniazid,DrugBank,drug,CC(C)NNC(=O)C1=CC=NC=C1,DRUG_5268
5269,5269,5269,5269,5269,5269,5269,5269,DB11796,Fostemsavir,DrugBank,drug,COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2COP(O)(O)=O)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1,DRUG_5269
5270,5270,5270,5270,5270,5270,5270,5270,DB14527,Chromic nitrate,DrugBank,drug,[Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,DRUG_5270
5271,5271,5271,5271,5271,5271,5271,5271,DB08952,Indenolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=CC2=C1C=CC2,DRUG_5271
5272,5272,5272,5272,5272,5272,5272,5272,DB05308,ANX-510,DrugBank,drug,,DRUG_5272
5273,5273,5273,5273,5273,5273,5273,5273,DB02343,"3,6,9,12,15-Pentaoxaheptadecane",DrugBank,drug,CCOCCOCCOCCOCCOCC,DRUG_5273
5274,5274,5274,5274,5274,5274,5274,5274,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",DrugBank,drug,[H][C@](N)(CC(=O)N1CCN2N=C(N=C2[C@@]1([H])C)C(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,DRUG_5274
5275,5275,5275,5275,5275,5275,5275,5275,DB08022,"(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile",DrugBank,drug,[H][C@](C#N)(C1=NC2=C(S1)C=CC=C2)C1=NC(NCCC2=CC=CN=C2)=NC=C1,DRUG_5275
5276,5276,5276,5276,5276,5276,5276,5276,DB06969,"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",DrugBank,drug,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1,DRUG_5276
5277,5277,5277,5277,5277,5277,5277,5277,DB11077,Polyethylene glycol 400,DrugBank,drug,,DRUG_5277
5278,5278,5278,5278,5278,5278,5278,5278,DB04444,Tetrafluoroaluminate Ion,DrugBank,drug,F[Al-](F)(F)F,DRUG_5278
5279,5279,5279,5279,5279,5279,5279,5279,DB09456,Insulin beef,DrugBank,drug,,DRUG_5279
5280,5280,5280,5280,5280,5280,5280,5280,DB05345,SO-101,DrugBank,drug,,DRUG_5280
5281,5281,5281,5281,5281,5281,5281,5281,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",DrugBank,drug,[H][C@]1(O)CN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,DRUG_5281
5282,5282,5282,5282,5282,5282,5282,5282,DB00883,Isosorbide dinitrate,DrugBank,drug,[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O,DRUG_5282
5283,5283,5283,5283,5283,5283,5283,5283,DB06879,"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE",DrugBank,drug,CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N,DRUG_5283
5284,5284,5284,5284,5284,5284,5284,5284,DB03032,S-octylglutathione,DrugBank,drug,CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,DRUG_5284
5285,5285,5285,5285,5285,5285,5285,5285,DB00691,Moexipril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O,DRUG_5285
5286,5286,5286,5286,5286,5286,5286,5286,DB14801,Lanifibranor,DrugBank,drug,OC(=O)CCCC1=CC2=C(C=CC(Cl)=C2)N1S(=O)(=O)C1=CC2=C(C=C1)N=CS2,DRUG_5286
5287,5287,5287,5287,5287,5287,5287,5287,DB00582,Voriconazole,DrugBank,drug,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,DRUG_5287
5288,5288,5288,5288,5288,5288,5288,5288,DB01482,Fenethylline,DrugBank,drug,CC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_5288
5289,5289,5289,5289,5289,5289,5289,5289,DB08302,3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid,DrugBank,drug,CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O,DRUG_5289
5290,5290,5290,5290,5290,5290,5290,5290,DB00621,Oxandrolone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C,DRUG_5290
5291,5291,5291,5291,5291,5291,5291,5291,DB02396,Methylethylamine,DrugBank,drug,CCNC,DRUG_5291
5292,5292,5292,5292,5292,5292,5292,5292,DB06725,Lornoxicam,DrugBank,drug,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O,DRUG_5292
5293,5293,5293,5293,5293,5293,5293,5293,DB07811,"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide",DrugBank,drug,CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1,DRUG_5293
5294,5294,5294,5294,5294,5294,5294,5294,DB03950,(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,DrugBank,drug,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@H](C)CN1C=CC2=CC=CC=C12,DRUG_5294
5295,5295,5295,5295,5295,5295,5295,5295,DB15559,Zenocutuzumab,DrugBank,drug,,DRUG_5295
5296,5296,5296,5296,5296,5296,5296,5296,DB14890,Obicetrapib,DrugBank,drug,CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C2=NC=C(OCCCC(O)=O)C=N2)C2=C1C=CC(=C2)C(F)(F)F,DRUG_5296
5297,5297,5297,5297,5297,5297,5297,5297,DB07740,"(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid",DrugBank,drug,[H]C(C(O)=O)=C(C)C(\[H])=C(/C)C[C@]([H])(C)CCCC[C@@]([H])(O)[C@@]([H])(CO)C=O,DRUG_5297
5298,5298,5298,5298,5298,5298,5298,5298,DB08496,(R)-warfarin,DrugBank,drug,CC(=O)C[C@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_5298
5299,5299,5299,5299,5299,5299,5299,5299,DB03367,PF-00356231,DrugBank,drug,[H][C@](CC(O)=O)(NC(=O)C1=CC(=CS1)C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=CC=C1,DRUG_5299
5300,5300,5300,5300,5300,5300,5300,5300,DB05710,Gantacurium,DrugBank,drug,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,DRUG_5300
5301,5301,5301,5301,5301,5301,5301,5301,DB00334,Olanzapine,DrugBank,drug,CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2,DRUG_5301
5302,5302,5302,5302,5302,5302,5302,5302,DB14829,Uproleselan,DrugBank,drug,CC[C@H]1C[C@H](C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC,DRUG_5302
5303,5303,5303,5303,5303,5303,5303,5303,DB06182,Talabostat,DrugBank,drug,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,DRUG_5303
5304,5304,5304,5304,5304,5304,5304,5304,DB01576,Dextroamphetamine,DrugBank,drug,C[C@H](N)CC1=CC=CC=C1,DRUG_5304
5305,5305,5305,5305,5305,5305,5305,5305,DB11372,Altrenogest,DrugBank,drug,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_5305
5306,5306,5306,5306,5306,5306,5306,5306,DB18811,Taminadenant,DrugBank,drug,NC1=NC(=NC(N2C=CC=N2)=C1Br)N1C=CC=N1,DRUG_5306
5307,5307,5307,5307,5307,5307,5307,5307,DB07460,2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE,DrugBank,drug,CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1,DRUG_5307
5308,5308,5308,5308,5308,5308,5308,5308,DB07167,5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE,DrugBank,drug,CC1CCN(CC1)C1=CC=C(CO)C=C1NC(=O)C1=CC=C(O1)C#N,DRUG_5308
5309,5309,5309,5309,5309,5309,5309,5309,DB13933,Nonacog beta pegol,DrugBank,drug,,DRUG_5309
5310,5310,5310,5310,5310,5310,5310,5310,DB06977,(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine,DrugBank,drug,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=CNN=C2C=C1)CC1=C2C=CC=CC2([H])N=C1,DRUG_5310
5311,5311,5311,5311,5311,5311,5311,5311,DB02245,7-Deazaguanine,DrugBank,drug,NC1=NC2=C(CC=N2)C(=O)N1,DRUG_5311
5312,5312,5312,5312,5312,5312,5312,5312,DB15014,Gremubamab,DrugBank,drug,,DRUG_5312
5313,5313,5313,5313,5313,5313,5313,5313,DB07747,"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DrugBank,drug,[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1,DRUG_5313
5314,5314,5314,5314,5314,5314,5314,5314,DB08841,Tyramine,DrugBank,drug,NCCC1=CC=C(O)C=C1,DRUG_5314
5315,5315,5315,5315,5315,5315,5315,5315,DB12484,Tetrahydrouridine,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1CCC(O)NC1=O,DRUG_5315
5316,5316,5316,5316,5316,5316,5316,5316,DB02857,Guanosine,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_5316
5317,5317,5317,5317,5317,5317,5317,5317,DB07645,Sebacic acid,DrugBank,drug,OC(=O)CCCCCCCCC(O)=O,DRUG_5317
5318,5318,5318,5318,5318,5318,5318,5318,DB04470,CRA_10656,DrugBank,drug,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=CC(=C3)C(N)=[NH2+])=C1[O-],DRUG_5318
5319,5319,5319,5319,5319,5319,5319,5319,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",DrugBank,drug,[H][C@@]12CC3=C4C(NC=C4[C@]1([H])[C@]1([H])N(C(O)=C(C(C)=O)C1=O)C2(C)C)=CC=C3,DRUG_5319
5320,5320,5320,5320,5320,5320,5320,5320,DB06210,Eltrombopag,DrugBank,drug,CC1=NN(C(=O)\C1=N/NC1=CC=CC(C2=CC=CC(=C2)C(O)=O)=C1O)C1=CC=C(C)C(C)=C1,DRUG_5320
5321,5321,5321,5321,5321,5321,5321,5321,DB02178,Phenylacetaldehyde,DrugBank,drug,O=CCC1=CC=CC=C1,DRUG_5321
5322,5322,5322,5322,5322,5322,5322,5322,DB08045,"4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL",DrugBank,drug,NCCCOC1=CC=C(C=C1)C1=C(NN=C1)C1=CC(Cl)=C(O)C=C1O,DRUG_5322
5323,5323,5323,5323,5323,5323,5323,5323,DB09363,Rauwolfia serpentina root,DrugBank,drug,,DRUG_5323
5324,5324,5324,5324,5324,5324,5324,5324,DB02336,RU83876,DrugBank,drug,CC(=O)N[C@@H](CC1=CC(=C(C=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_5324
5325,5325,5325,5325,5325,5325,5325,5325,DB12773,Sifalimumab,DrugBank,drug,,DRUG_5325
5326,5326,5326,5326,5326,5326,5326,5326,DB05608,MKC-1,DrugBank,drug,CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC(=CC=C12)[N+]([O-])=O,DRUG_5326
5327,5327,5327,5327,5327,5327,5327,5327,DB00354,Buclizine,DrugBank,drug,CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1,DRUG_5327
5328,5328,5328,5328,5328,5328,5328,5328,DB16138,Diflomotecan,DrugBank,drug,CC[C@@]1(O)CC(=O)OCC2=C1C=C1N(CC3=CC4=CC(F)=C(F)C=C4N=C13)C2=O,DRUG_5328
5329,5329,5329,5329,5329,5329,5329,5329,DB03781,"2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid",DrugBank,drug,[H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O,DRUG_5329
5330,5330,5330,5330,5330,5330,5330,5330,DB08735,"R,S-Warfarin alcohol",DrugBank,drug,[H][C@@](C)(O)C[C@]([H])(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_5330
5331,5331,5331,5331,5331,5331,5331,5331,DB03395,Enalkiren,DrugBank,drug,COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1,DRUG_5331
5332,5332,5332,5332,5332,5332,5332,5332,DB04957,Azimilide,DrugBank,drug,CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1,DRUG_5332
5333,5333,5333,5333,5333,5333,5333,5333,DB07476,N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE,DrugBank,drug,NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2S)C=C1,DRUG_5333
5334,5334,5334,5334,5334,5334,5334,5334,DB11041,Influenza A virus A/California/7/2009 X-181 (H1N1) hemagglutinin antigen (propiolactone inactivated),DrugBank,drug,,DRUG_5334
5335,5335,5335,5335,5335,5335,5335,5335,DB08797,Salicylamide,DrugBank,drug,NC(=O)C1=CC=CC=C1O,DRUG_5335
5336,5336,5336,5336,5336,5336,5336,5336,DB13295,Atracurium,DrugBank,drug,,DRUG_5336
5337,5337,5337,5337,5337,5337,5337,5337,DB00466,Picrotoxin,DrugBank,drug,[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O,DRUG_5337
5338,5338,5338,5338,5338,5338,5338,5338,DB13652,Bunaftine,DrugBank,drug,CCCCN(CCN(CC)CC)C(=O)C1=C2C=CC=CC2=CC=C1,DRUG_5338
5339,5339,5339,5339,5339,5339,5339,5339,DB03277,alpha-maltotriose,DrugBank,drug,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,DRUG_5339
5340,5340,5340,5340,5340,5340,5340,5340,DB03209,Oteracil,DrugBank,drug,OC(=O)C1=NC(=O)NC(=O)N1,DRUG_5340
5341,5341,5341,5341,5341,5341,5341,5341,DB17549,Alrizomadlin,DrugBank,drug,CCN1[C@H]([C@H](C2=CC=CC(Cl)=C2F)[C@]2(C(=O)NC3=CC(Cl)=CC=C23)C11CCCCC1)C(=O)NC12CCC(CC1)(CC2)C(O)=O,DRUG_5341
5342,5342,5342,5342,5342,5342,5342,5342,DB03128,Acetylcholine,DrugBank,drug,CC(=O)OCC[N+](C)(C)C,DRUG_5342
5343,5343,5343,5343,5343,5343,5343,5343,DB00868,Benzonatate,DrugBank,drug,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,DRUG_5343
5344,5344,5344,5344,5344,5344,5344,5344,DB02420,"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,",DrugBank,drug,NCC1=CC=C(NC(=O)C(O)=O)C=C1,DRUG_5344
5345,5345,5345,5345,5345,5345,5345,5345,DB07887,"(R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine",DrugBank,drug,[H]N([H])C(=NCC1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],DRUG_5345
5346,5346,5346,5346,5346,5346,5346,5346,DB05721,EVT 201,DrugBank,drug,CN(C)CC1=NC(=NO1)C1=C2CN(C)C(=O)C3=C(C=CC=C3Cl)N2C=N1,DRUG_5346
5347,5347,5347,5347,5347,5347,5347,5347,DB00788,Naproxen,DrugBank,drug,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O,DRUG_5347
5348,5348,5348,5348,5348,5348,5348,5348,DB14996,Sutimlimab,DrugBank,drug,,DRUG_5348
5349,5349,5349,5349,5349,5349,5349,5349,DB18736,Celastrol,DrugBank,drug,[H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(O)=O,DRUG_5349
5350,5350,5350,5350,5350,5350,5350,5350,DB08699,"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DrugBank,drug,CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1,DRUG_5350
5351,5351,5351,5351,5351,5351,5351,5351,DB03594,"1,2,4-Triazole",DrugBank,drug,N1C=NC=N1,DRUG_5351
5352,5352,5352,5352,5352,5352,5352,5352,DB12174,CUDC-101,DrugBank,drug,COC1=C(OCCCCCCC(=O)NO)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1,DRUG_5352
5353,5353,5353,5353,5353,5353,5353,5353,DB12686,PHA-793887,DrugBank,drug,CC(C)CC(=O)NC1=NNC2=C1CN(C(=O)C1CCN(C)CC1)C2(C)C,DRUG_5353
5354,5354,5354,5354,5354,5354,5354,5354,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",DrugBank,drug,N#CC1=CC=C(\N=C2/O[C@@]([H])(C(F)(F)F)[C@]3([H])[C@](O)([H])CCN23)C(C)=C1Cl,DRUG_5354
5355,5355,5355,5355,5355,5355,5355,5355,DB01414,Cefacetrile,DrugBank,drug,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O,DRUG_5355
5356,5356,5356,5356,5356,5356,5356,5356,DB05155,CR665,DrugBank,drug,CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1=CC=NC=C1,DRUG_5356
5357,5357,5357,5357,5357,5357,5357,5357,DB08631,"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DrugBank,drug,ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1,DRUG_5357
5358,5358,5358,5358,5358,5358,5358,5358,DB13501,Bendazac,DrugBank,drug,OC(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12,DRUG_5358
5359,5359,5359,5359,5359,5359,5359,5359,DB08897,Aclidinium,DrugBank,drug,OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1,DRUG_5359
5360,5360,5360,5360,5360,5360,5360,5360,DB13209,Bismuth subnitrate,DrugBank,drug,[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O--].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[Bi+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,DRUG_5360
5361,5361,5361,5361,5361,5361,5361,5361,DB12648,Nona-arginine,DrugBank,drug,N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O,DRUG_5361
5362,5362,5362,5362,5362,5362,5362,5362,DB14128,Nadide,DrugBank,drug,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,DRUG_5362
5363,5363,5363,5363,5363,5363,5363,5363,DB04970,Lesopitron,DrugBank,drug,ClC1=CN(CCCCN2CCN(CC2)C2=NC=CC=N2)N=C1,DRUG_5363
5364,5364,5364,5364,5364,5364,5364,5364,DB12036,Naquotinib,DrugBank,drug,CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC2=CC=C(C=C2)N2CCC(CC2)N2CCN(C)CC2)C(=N1)C(N)=O,DRUG_5364
5365,5365,5365,5365,5365,5365,5365,5365,DB08895,Tofacitinib,DrugBank,drug,C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N,DRUG_5365
5366,5366,5366,5366,5366,5366,5366,5366,DB14921,Mavacamten,DrugBank,drug,CC(C)N1C(=O)NC(N[C@@H](C)C2=CC=CC=C2)=CC1=O,DRUG_5366
5367,5367,5367,5367,5367,5367,5367,5367,DB12998,PF-00217830,DrugBank,drug,O=C1CCC2=CC=C(OCCCCN3CCN(CC3)C3=CC=CC4=CC=CC=C34)N=C2N1,DRUG_5367
5368,5368,5368,5368,5368,5368,5368,5368,DB13089,Enoxolone,DrugBank,drug,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,DRUG_5368
5369,5369,5369,5369,5369,5369,5369,5369,DB00168,Aspartame,DrugBank,drug,COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O,DRUG_5369
5370,5370,5370,5370,5370,5370,5370,5370,DB14498,Potassium acetate,DrugBank,drug,[K+].CC([O-])=O,DRUG_5370
5371,5371,5371,5371,5371,5371,5371,5371,DB04838,Cyclandelate,DrugBank,drug,CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1,DRUG_5371
5372,5372,5372,5372,5372,5372,5372,5372,DB02643,"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate",DrugBank,drug,CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O,DRUG_5372
5373,5373,5373,5373,5373,5373,5373,5373,DB00538,Gadoversetamide,DrugBank,drug,[Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O,DRUG_5373
5374,5374,5374,5374,5374,5374,5374,5374,DB11095,Desirudin,DrugBank,drug,,DRUG_5374
5375,5375,5375,5375,5375,5375,5375,5375,DB02638,Terlipressin,DrugBank,drug,,DRUG_5375
5376,5376,5376,5376,5376,5376,5376,5376,DB13256,Clothiapine,DrugBank,drug,CN1CCN(CC1)C1=NC2=CC=CC=C2SC2=C1C=C(Cl)C=C2,DRUG_5376
5377,5377,5377,5377,5377,5377,5377,5377,DB16877,Ampiroxicam,DrugBank,drug,CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)C2=CC=CC=C12)C(=O)NC1=NC=CC=C1,DRUG_5377
5378,5378,5378,5378,5378,5378,5378,5378,DB08745,4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE,DrugBank,drug,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1,DRUG_5378
5379,5379,5379,5379,5379,5379,5379,5379,DB04267,Dipicolinic acid,DrugBank,drug,OC(=O)C1=CC=CC(=N1)C(O)=O,DRUG_5379
5380,5380,5380,5380,5380,5380,5380,5380,DB04899,Nesiritide,DrugBank,drug,,DRUG_5380
5381,5381,5381,5381,5381,5381,5381,5381,DB00758,Clopidogrel,DrugBank,drug,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl,DRUG_5381
5382,5382,5382,5382,5382,5382,5382,5382,DB00924,Cyclobenzaprine,DrugBank,drug,CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12,DRUG_5382
5383,5383,5383,5383,5383,5383,5383,5383,DB08654,"TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",DrugBank,drug,[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O,DRUG_5383
5384,5384,5384,5384,5384,5384,5384,5384,DB12285,Verubecestat,DrugBank,drug,CN1C(N)=N[C@@](C)(CS1(=O)=O)C1=CC(NC(=O)C2=CC=C(F)C=N2)=CC=C1F,DRUG_5384
5385,5385,5385,5385,5385,5385,5385,5385,DB01563,Chloral hydrate,DrugBank,drug,OC(O)C(Cl)(Cl)Cl,DRUG_5385
5386,5386,5386,5386,5386,5386,5386,5386,DB08064,N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA,DrugBank,drug,CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1,DRUG_5386
5387,5387,5387,5387,5387,5387,5387,5387,DB00907,Cocaine,DrugBank,drug,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C,DRUG_5387
5388,5388,5388,5388,5388,5388,5388,5388,DB02400,ES-936,DrugBank,drug,COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O,DRUG_5388
5389,5389,5389,5389,5389,5389,5389,5389,DB04727,"1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea",DrugBank,drug,COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1,DRUG_5389
5390,5390,5390,5390,5390,5390,5390,5390,DB00991,Oxaprozin,DrugBank,drug,OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5390
5391,5391,5391,5391,5391,5391,5391,5391,DB12048,Savolitinib,DrugBank,drug,C[C@H](N1N=NC2=NC=C(N=C12)C1=CN(C)N=C1)C1=CN2C=CN=C2C=C1,DRUG_5391
5392,5392,5392,5392,5392,5392,5392,5392,DB01751,Tetraiodothyroacetic acid,DrugBank,drug,OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1,DRUG_5392
5393,5393,5393,5393,5393,5393,5393,5393,DB07120,"3-Carbamimidamido-1,1-diphenylurea",DrugBank,drug,NC(N)=NNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5393
5394,5394,5394,5394,5394,5394,5394,5394,DB04235,4-Amino Hexanoic Acid,DrugBank,drug,[H][C@@](N)(CC)CCC(O)=O,DRUG_5394
5395,5395,5395,5395,5395,5395,5395,5395,DB05301,LAX-101,DrugBank,drug,,DRUG_5395
5396,5396,5396,5396,5396,5396,5396,5396,DB07208,"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid",DrugBank,drug,[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O,DRUG_5396
5397,5397,5397,5397,5397,5397,5397,5397,DB03273,3'-Oxo-Adenosine,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O,DRUG_5397
5398,5398,5398,5398,5398,5398,5398,5398,DB12278,Propiverine,DrugBank,drug,CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5398
5399,5399,5399,5399,5399,5399,5399,5399,DB01284,Tetracosactide,DrugBank,drug,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O,DRUG_5399
5400,5400,5400,5400,5400,5400,5400,5400,DB06807,Phenyl aminosalicylate,DrugBank,drug,NC1=CC(O)=C(C=C1)C(=O)OC1=CC=CC=C1,DRUG_5400
5401,5401,5401,5401,5401,5401,5401,5401,DB13523,Veralipride,DrugBank,drug,COC1=CC(=CC(C(=O)NCC2CCCN2CC=C)=C1OC)S(N)(=O)=O,DRUG_5401
5402,5402,5402,5402,5402,5402,5402,5402,DB01006,Letrozole,DrugBank,drug,N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N,DRUG_5402
5403,5403,5403,5403,5403,5403,5403,5403,DB16485,ODN M362,DrugBank,drug,,DRUG_5403
5404,5404,5404,5404,5404,5404,5404,5404,DB05969,SNS-032,DrugBank,drug,CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1,DRUG_5404
5405,5405,5405,5405,5405,5405,5405,5405,DB17851,Flotufolastat F-18,DrugBank,drug,CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C,DRUG_5405
5406,5406,5406,5406,5406,5406,5406,5406,DB09105,Asfotase alfa,DrugBank,drug,,DRUG_5406
5407,5407,5407,5407,5407,5407,5407,5407,DB16051,MOL-4239,DrugBank,drug,C[C@H](NC(=O)C(=C\C=C\C1=CC=CC(Br)=N1)\C#N)C1=CC=CC=C1,DRUG_5407
5408,5408,5408,5408,5408,5408,5408,5408,DB05229,Beraprost,DrugBank,drug,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1,DRUG_5408
5409,5409,5409,5409,5409,5409,5409,5409,DB09348,Propiolactone,DrugBank,drug,O=C1CCO1,DRUG_5409
5410,5410,5410,5410,5410,5410,5410,5410,DB00702,Icodextrin,DrugBank,drug,,DRUG_5410
5411,5411,5411,5411,5411,5411,5411,5411,DB01394,Colchicine,DrugBank,drug,COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O,DRUG_5411
5412,5412,5412,5412,5412,5412,5412,5412,DB15466,Tallimustine,DrugBank,drug,CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N,DRUG_5412
5413,5413,5413,5413,5413,5413,5413,5413,DB00740,Riluzole,DrugBank,drug,NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2,DRUG_5413
5414,5414,5414,5414,5414,5414,5414,5414,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",DrugBank,drug,NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O,DRUG_5414
5415,5415,5415,5415,5415,5415,5415,5415,DB15650,Efpeglenatide,DrugBank,drug,,DRUG_5415
5416,5416,5416,5416,5416,5416,5416,5416,DB11704,Adomeglivant,DrugBank,drug,CC1=CC(O[C@@H](CCC(F)(F)F)C2=CC=C(C=C2)C(=O)NCCC(O)=O)=CC(C)=C1C1=CC=C(C=C1)C(C)(C)C,DRUG_5416
5417,5417,5417,5417,5417,5417,5417,5417,DB02508,Isopentyl Pyrophosphate,DrugBank,drug,CC(C)CCO[P@](O)(=O)OP(O)(O)=O,DRUG_5417
5418,5418,5418,5418,5418,5418,5418,5418,DB17823,Perfluorohexyloctane,DrugBank,drug,CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,DRUG_5418
5419,5419,5419,5419,5419,5419,5419,5419,DB07393,"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE",DrugBank,drug,C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1,DRUG_5419
5420,5420,5420,5420,5420,5420,5420,5420,DB03015,"6-hydroxy-1,6-dihydro purine nucleoside",DrugBank,drug,[H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H],DRUG_5420
5421,5421,5421,5421,5421,5421,5421,5421,DB16869,Setanaxib,DrugBank,drug,CN(C)C1=CC(=CC=C1)C1=C2C(NN(C2=O)C2=CC=CC=C2Cl)=CC(=O)N1C,DRUG_5421
5422,5422,5422,5422,5422,5422,5422,5422,DB00532,Mephenytoin,DrugBank,drug,CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1,DRUG_5422
5423,5423,5423,5423,5423,5423,5423,5423,DB13343,Tioxolone,DrugBank,drug,OC1=CC2=C(SC(=O)O2)C=C1,DRUG_5423
5424,5424,5424,5424,5424,5424,5424,5424,DB01927,Duroquinone,DrugBank,drug,CC1=C(C)C(=O)C(C)=C(C)C1=O,DRUG_5424
5425,5425,5425,5425,5425,5425,5425,5425,DB02402,"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine",DrugBank,drug,COC1=CC=C(OC2=CC=CC3=NC(N)=NC(N)=C23)C=C1,DRUG_5425
5426,5426,5426,5426,5426,5426,5426,5426,DB06184,AEG35156,DrugBank,drug,,DRUG_5426
5427,5427,5427,5427,5427,5427,5427,5427,DB11673,Pyridoxamine,DrugBank,drug,CC1=C(O)C(CN)=C(CO)C=N1,DRUG_5427
5428,5428,5428,5428,5428,5428,5428,5428,DB13857,Demegestone,DrugBank,drug,[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_5428
5429,5429,5429,5429,5429,5429,5429,5429,DB07579,"Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane",DrugBank,drug,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC1COC(C)(OC1)C(O)=O)C(O)=O,DRUG_5429
5430,5430,5430,5430,5430,5430,5430,5430,DB12867,Benperidol,DrugBank,drug,OC1=NC2=CC=CC=C2N1C1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,DRUG_5430
5431,5431,5431,5431,5431,5431,5431,5431,DB00525,Tolnaftate,DrugBank,drug,CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1,DRUG_5431
5432,5432,5432,5432,5432,5432,5432,5432,DB05541,Brivaracetam,DrugBank,drug,CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1,DRUG_5432
5433,5433,5433,5433,5433,5433,5433,5433,DB00094,Urofollitropin,DrugBank,drug,,DRUG_5433
5434,5434,5434,5434,5434,5434,5434,5434,DB01460,Diethyltryptamine,DrugBank,drug,CCN(CC)CCC1=CNC2=CC=CC=C12,DRUG_5434
5435,5435,5435,5435,5435,5435,5435,5435,DB06942,N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_5435
5436,5436,5436,5436,5436,5436,5436,5436,DB12939,Nikkomycin Z,DrugBank,drug,C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)C(O)=O)[C@H](O)C1=CC=C(O)C=N1,DRUG_5436
5437,5437,5437,5437,5437,5437,5437,5437,DB07457,"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE",DrugBank,drug,NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,DRUG_5437
5438,5438,5438,5438,5438,5438,5438,5438,DB13292,Pimethixene,DrugBank,drug,CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_5438
5439,5439,5439,5439,5439,5439,5439,5439,DB16308,Revaprazan,DrugBank,drug,CC1N(CCC2=C1C=CC=C2)C1=NC(NC2=CC=C(F)C=C2)=NC(C)=C1C,DRUG_5439
5440,5440,5440,5440,5440,5440,5440,5440,DB01273,Varenicline,DrugBank,drug,C1C2CNCC1C1=C2C=C2N=CC=NC2=C1,DRUG_5440
5441,5441,5441,5441,5441,5441,5441,5441,DB00256,Lymecycline,DrugBank,drug,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C,DRUG_5441
5442,5442,5442,5442,5442,5442,5442,5442,DB13725,Terodiline,DrugBank,drug,CC(CC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C)(C)C,DRUG_5442
5443,5443,5443,5443,5443,5443,5443,5443,DB01165,Ofloxacin,DrugBank,drug,CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,DRUG_5443
5444,5444,5444,5444,5444,5444,5444,5444,DB08155,N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE,DrugBank,drug,CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O,DRUG_5444
5445,5445,5445,5445,5445,5445,5445,5445,DB11826,Lampalizumab,DrugBank,drug,,DRUG_5445
5446,5446,5446,5446,5446,5446,5446,5446,DB11363,Alectinib,DrugBank,drug,CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O,DRUG_5446
5447,5447,5447,5447,5447,5447,5447,5447,DB00993,Azathioprine,DrugBank,drug,CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O,DRUG_5447
5448,5448,5448,5448,5448,5448,5448,5448,DB09311,Polycarbophil,DrugBank,drug,,DRUG_5448
5449,5449,5449,5449,5449,5449,5449,5449,DB04757,"GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE",DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O,DRUG_5449
5450,5450,5450,5450,5450,5450,5450,5450,DB12569,Tonapofylline,DrugBank,drug,CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O,DRUG_5450
5451,5451,5451,5451,5451,5451,5451,5451,DB12342,Ensituximab,DrugBank,drug,,DRUG_5451
5452,5452,5452,5452,5452,5452,5452,5452,DB12292,Barusiban,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC1=O)[C@H](C)CC)C(=O)N(C)[C@H](CO)CCCN,DRUG_5452
5453,5453,5453,5453,5453,5453,5453,5453,DB02431,Cytidine-5'-Triphosphate,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_5453
5454,5454,5454,5454,5454,5454,5454,5454,DB02600,Oseltamivir acid,DrugBank,drug,CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O,DRUG_5454
5455,5455,5455,5455,5455,5455,5455,5455,DB12827,Indoximod,DrugBank,drug,CN1C=C(C[C@@H](N)C(O)=O)C2=CC=CC=C12,DRUG_5455
5456,5456,5456,5456,5456,5456,5456,5456,DB18213,Idroxioleic acid,DrugBank,drug,CCCCCCCC\C=C/CCCCCCC(O)C(O)=O,DRUG_5456
5457,5457,5457,5457,5457,5457,5457,5457,DB02735,2-Amino-3-Oxo-4-Sulfo-Butyric Acid,DrugBank,drug,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O,DRUG_5457
5458,5458,5458,5458,5458,5458,5458,5458,DB19125,Giredestrant,DrugBank,drug,C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1CC(F)(F)CO)C1=C(F)C=C(NC2CN(CCCF)C2)C=C1F,DRUG_5458
5459,5459,5459,5459,5459,5459,5459,5459,DB06045,Trofinetide,DrugBank,drug,C[C@]1(CCCN1C(=O)CN)C(=O)N[C@@H](CCC(O)=O)C(O)=O,DRUG_5459
5460,5460,5460,5460,5460,5460,5460,5460,DB07662,PD-168393,DrugBank,drug,BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1,DRUG_5460
5461,5461,5461,5461,5461,5461,5461,5461,DB02538,"N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide",DrugBank,drug,CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12,DRUG_5461
5462,5462,5462,5462,5462,5462,5462,5462,DB13782,Imipramine oxide,DrugBank,drug,C[N+](C)([O-])CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_5462
5463,5463,5463,5463,5463,5463,5463,5463,DB04117,"4-(N,N-Dimethylamino)cinnamoyl-CoA",DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)\C=C\C4=CC=C(C=C4)N(C)C)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_5463
5464,5464,5464,5464,5464,5464,5464,5464,DB13167,Alclofenac,DrugBank,drug,OC(=O)CC1=CC(Cl)=C(OCC=C)C=C1,DRUG_5464
5465,5465,5465,5465,5465,5465,5465,5465,DB02652,L-[(N-Hydroxyamino)Carbonyl]Phenylalanine,DrugBank,drug,[H]N(O)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(O)=O,DRUG_5465
5466,5466,5466,5466,5466,5466,5466,5466,DB09546,Iobenguane sulfate I-123,DrugBank,drug,OS(O)(=O)=O.NC(=N)NCC1=CC([123I])=CC=C1.NC(=N)NCC1=CC([123I])=CC=C1,DRUG_5466
5467,5467,5467,5467,5467,5467,5467,5467,DB07979,"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID",DrugBank,drug,[H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O,DRUG_5467
5468,5468,5468,5468,5468,5468,5468,5468,DB09241,Methylene blue,DrugBank,drug,[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1,DRUG_5468
5469,5469,5469,5469,5469,5469,5469,5469,DB08782,4-(2-AMINOETHYL)BENZENESULFONAMIDE,DrugBank,drug,NCCC1=CC=C(C=C1)S(N)(=O)=O,DRUG_5469
5470,5470,5470,5470,5470,5470,5470,5470,DB00592,Piperazine,DrugBank,drug,C1CNCCN1,DRUG_5470
5471,5471,5471,5471,5471,5471,5471,5471,DB04186,"N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea",DrugBank,drug,[H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1,DRUG_5471
5472,5472,5472,5472,5472,5472,5472,5472,DB15001,Eflapegrastim,DrugBank,drug,,DRUG_5472
5473,5473,5473,5473,5473,5473,5473,5473,DB13541,Iprazochrome,DrugBank,drug,CC(C)N1CC(O)C2=C\C(=N\NC(N)=O)C(=O)C=C12,DRUG_5473
5474,5474,5474,5474,5474,5474,5474,5474,DB09274,Artesunate,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4,DRUG_5474
5475,5475,5475,5475,5475,5475,5475,5475,DB01992,Coenzyme A,DrugBank,drug,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,DRUG_5475
5476,5476,5476,5476,5476,5476,5476,5476,DB05897,rhIGFBP-3,DrugBank,drug,,DRUG_5476
5477,5477,5477,5477,5477,5477,5477,5477,DB01780,Fusicoccin,DrugBank,drug,[H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O,DRUG_5477
5478,5478,5478,5478,5478,5478,5478,5478,DB06786,Halcinonide,DrugBank,drug,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_5478
5479,5479,5479,5479,5479,5479,5479,5479,DB08955,Ibuproxam,DrugBank,drug,CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO,DRUG_5479
5480,5480,5480,5480,5480,5480,5480,5480,DB13231,Calcium lactate,DrugBank,drug,[Ca++].CC(O)C([O-])=O.CC(O)C([O-])=O,DRUG_5480
5481,5481,5481,5481,5481,5481,5481,5481,DB01870,"1,4-dithio-alpha-D-glucopyranose",DrugBank,drug,[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(S)[C@@]([H])(CO)O[C@]1([H])S,DRUG_5481
5482,5482,5482,5482,5482,5482,5482,5482,DB16602,Dihydroergotoxine,DrugBank,drug,,DRUG_5482
5483,5483,5483,5483,5483,5483,5483,5483,DB15336,Valanafusp alfa,DrugBank,drug,,DRUG_5483
5484,5484,5484,5484,5484,5484,5484,5484,DB03711,6-Hydroxy-6-Methyl-Heptan-3-One,DrugBank,drug,CCC(=O)CCC(C)(C)O,DRUG_5484
5485,5485,5485,5485,5485,5485,5485,5485,DB07036,"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",DrugBank,drug,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,DRUG_5485
5486,5486,5486,5486,5486,5486,5486,5486,DB01049,Ergoloid mesylate,DrugBank,drug,,DRUG_5486
5487,5487,5487,5487,5487,5487,5487,5487,DB07573,"(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol",DrugBank,drug,[H][C@@](O)(COC1=C(C)C=CC(C)=C1)CN1CCOCC1,DRUG_5487
5488,5488,5488,5488,5488,5488,5488,5488,DB13760,Niperotidine,DrugBank,drug,CN(C)CC1=CC=C(CSCCNC(NCC2=CC=C3OCOC3=C2)=C[N+]([O-])=O)O1,DRUG_5488
5489,5489,5489,5489,5489,5489,5489,5489,DB15585,ORG-31710,DrugBank,drug,[H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3[C@H](C)C[C@@]21[H],DRUG_5489
5490,5490,5490,5490,5490,5490,5490,5490,DB12216,Bergapten,DrugBank,drug,COC1=C2C=CC(=O)OC2=CC2=C1C=CO2,DRUG_5490
5491,5491,5491,5491,5491,5491,5491,5491,DB09511,Talc,DrugBank,drug,[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Mg++].[Mg++].[Mg++].[Si+4].[Si+4].[Si+4].[Si+4].[O-][H].[O-][H],DRUG_5491
5492,5492,5492,5492,5492,5492,5492,5492,DB08801,Dimetindene,DrugBank,drug,CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1,DRUG_5492
5493,5493,5493,5493,5493,5493,5493,5493,DB13221,Apronalide,DrugBank,drug,CC(C)C(CC=C)C(=O)NC(N)=O,DRUG_5493
5494,5494,5494,5494,5494,5494,5494,5494,DB07357,"4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",DrugBank,drug,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,DRUG_5494
5495,5495,5495,5495,5495,5495,5495,5495,DB06779,Dalteparin,DrugBank,drug,,DRUG_5495
5496,5496,5496,5496,5496,5496,5496,5496,DB09571,Levmetamfetamine,DrugBank,drug,CN[C@H](C)CC1=CC=CC=C1,DRUG_5496
5497,5497,5497,5497,5497,5497,5497,5497,DB03408,gamma-Glutamylcysteine,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,DRUG_5497
5498,5498,5498,5498,5498,5498,5498,5498,DB08128,"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine",DrugBank,drug,[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N,DRUG_5498
5499,5499,5499,5499,5499,5499,5499,5499,DB04094,4-hydroxybutan-2-one,DrugBank,drug,CC(=O)CCO,DRUG_5499
5500,5500,5500,5500,5500,5500,5500,5500,DB19353,Benzgalantamine,DrugBank,drug,[H][C@]12C[C@@H](OC(=O)C3=CC=CC=C3)C=C[C@]11CCN(C)CC3=CC=C(OC)C(O2)=C13,DRUG_5500
5501,5501,5501,5501,5501,5501,5501,5501,DB00953,Rizatriptan,DrugBank,drug,CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2,DRUG_5501
5502,5502,5502,5502,5502,5502,5502,5502,DB09207,AS-8112,DrugBank,drug,[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1,DRUG_5502
5503,5503,5503,5503,5503,5503,5503,5503,DB07987,"[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester",DrugBank,drug,[H]N([C@H](CC(=O)N([H])C1=NN([H])C(=S)S1)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,DRUG_5503
5504,5504,5504,5504,5504,5504,5504,5504,DB15218,Pozelimab,DrugBank,drug,,DRUG_5504
5505,5505,5505,5505,5505,5505,5505,5505,DB13393,Emetine,DrugBank,drug,[H][C@]1(C[C@@]2([H])C[C@]3([H])N(CCC4=CC(OC)=C(OC)C=C34)C[C@]2([H])CC)NCCC2=CC(OC)=C(OC)C=C12,DRUG_5505
5506,5506,5506,5506,5506,5506,5506,5506,DB06608,Tafenoquine,DrugBank,drug,COC1=CC(C)=C2C(OC3=CC=CC(=C3)C(F)(F)F)=C(OC)C=C(NC(C)CCCN)C2=N1,DRUG_5506
5507,5507,5507,5507,5507,5507,5507,5507,DB14508,Lithium succinate,DrugBank,drug,[Li+].[Li+].[O-]C(=O)CCC([O-])=O,DRUG_5507
5508,5508,5508,5508,5508,5508,5508,5508,DB05260,Gallium nitrate,DrugBank,drug,[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,DRUG_5508
5509,5509,5509,5509,5509,5509,5509,5509,DB04620,Cycloleucine,DrugBank,drug,NC1(CCCC1)C(O)=O,DRUG_5509
5510,5510,5510,5510,5510,5510,5510,5510,DB04867,Lintitript,DrugBank,drug,OC(=O)CN1C(=CC2=CC=CC=C12)C(=O)NC1=NC(=CS1)C1=CC=CC=C1Cl,DRUG_5510
5511,5511,5511,5511,5511,5511,5511,5511,DB03172,Tubercidin,DrugBank,drug,NC1=NC=NC2=C1C=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_5511
5512,5512,5512,5512,5512,5512,5512,5512,DB06082,PX-478,DrugBank,drug,Cl.Cl.N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O,DRUG_5512
5513,5513,5513,5513,5513,5513,5513,5513,DB11091,Hydrogen peroxide,DrugBank,drug,OO,DRUG_5513
5514,5514,5514,5514,5514,5514,5514,5514,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",DrugBank,drug,[H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C,DRUG_5514
5515,5515,5515,5515,5515,5515,5515,5515,DB07757,"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one",DrugBank,drug,CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2,DRUG_5515
5516,5516,5516,5516,5516,5516,5516,5516,DB03491,2'-Deoxyguanosine-5'-Diphosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,DRUG_5516
5517,5517,5517,5517,5517,5517,5517,5517,DB16822,AZD-5069,DrugBank,drug,C[C@@H](OC1=CC(NS(=O)(=O)N2CCC2)=NC(SCC2=CC=CC(F)=C2F)=N1)[C@@H](O)CO,DRUG_5517
5518,5518,5518,5518,5518,5518,5518,5518,DB04163,"5-Phenylsulfanyl-2,4-Quinazolinediamine",DrugBank,drug,NC1=NC2=C(C(N)=N1)C(SC1=CC=CC=C1)=CC=C2,DRUG_5518
5519,5519,5519,5519,5519,5519,5519,5519,DB11598,Antithrombin III human,DrugBank,drug,,DRUG_5519
5520,5520,5520,5520,5520,5520,5520,5520,DB02054,Gabaculine,DrugBank,drug,NC1=CC=CC(=C1)C(O)=O,DRUG_5520
5521,5521,5521,5521,5521,5521,5521,5521,DB00446,Chloramphenicol,DrugBank,drug,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,DRUG_5521
5522,5522,5522,5522,5522,5522,5522,5522,DB08772,Zopolrestat,DrugBank,drug,OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2,DRUG_5522
5523,5523,5523,5523,5523,5523,5523,5523,DB12680,Intepirdine,DrugBank,drug,O=S(=O)(C1=CC=CC=C1)C1=CN=C2C(C=CC=C2N2CCNCC2)=C1,DRUG_5523
5524,5524,5524,5524,5524,5524,5524,5524,DB13929,Relcovaptan,DrugBank,drug,COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl,DRUG_5524
5525,5525,5525,5525,5525,5525,5525,5525,DB08412,6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID,DrugBank,drug,OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_5525
5526,5526,5526,5526,5526,5526,5526,5526,DB01271,Idursulfase,DrugBank,drug,,DRUG_5526
5527,5527,5527,5527,5527,5527,5527,5527,DB05790,SR 140333,DrugBank,drug,[Cl-].CC(C)OC1=CC=CC(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)C3=CC=CC=C3)(C2)C2=CC(Cl)=C(Cl)C=C2)=C1,DRUG_5527
5528,5528,5528,5528,5528,5528,5528,5528,DB05448,PX-12,DrugBank,drug,CCC(C)SSC1=NC=CN1,DRUG_5528
5529,5529,5529,5529,5529,5529,5529,5529,DB08661,"1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",DrugBank,drug,[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O,DRUG_5529
5530,5530,5530,5530,5530,5530,5530,5530,DB00548,Azelaic acid,DrugBank,drug,OC(=O)CCCCCCCC(O)=O,DRUG_5530
5531,5531,5531,5531,5531,5531,5531,5531,DB00116,Tetrahydrofolic acid,DrugBank,drug,NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1,DRUG_5531
5532,5532,5532,5532,5532,5532,5532,5532,DB06867,"3,6,9,12,15,18-HEXAOXAICOSANE",DrugBank,drug,CCOCCOCCOCCOCCOCCOCC,DRUG_5532
5533,5533,5533,5533,5533,5533,5533,5533,DB11952,Duvelisib,DrugBank,drug,C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1,DRUG_5533
5534,5534,5534,5534,5534,5534,5534,5534,DB15027,Adriforant,DrugBank,drug,CN[C@@H]1CCN(C1)C1=CC(NCC2CC2)=NC(N)=N1,DRUG_5534
5535,5535,5535,5535,5535,5535,5535,5535,DB08244,"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE",DrugBank,drug,[H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F,DRUG_5535
5536,5536,5536,5536,5536,5536,5536,5536,DB14975,Voxelotor,DrugBank,drug,CC(C)N1N=CC=C1C1=C(COC2=CC=CC(O)=C2C=O)C=CC=N1,DRUG_5536
5537,5537,5537,5537,5537,5537,5537,5537,DB00554,Piroxicam,DrugBank,drug,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,DRUG_5537
5538,5538,5538,5538,5538,5538,5538,5538,DB08214,4-(1H-IMIDAZOL-1-YL)PHENOL,DrugBank,drug,OC1=CC=C(C=C1)N1C=CN=C1,DRUG_5538
5539,5539,5539,5539,5539,5539,5539,5539,DB13323,Trichloroethylene,DrugBank,drug,ClC=C(Cl)Cl,DRUG_5539
5540,5540,5540,5540,5540,5540,5540,5540,DB03305,N(G)-Iminoethylornithine,DrugBank,drug,CC(=N)NCCC[C@H](N)C(O)=O,DRUG_5540
5541,5541,5541,5541,5541,5541,5541,5541,DB07315,"5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide",DrugBank,drug,[H][C@](O)(CO)C1=CC=C(NC(=O)C2=CC3=CC(Cl)=CC=C3N2)C=C1,DRUG_5541
5542,5542,5542,5542,5542,5542,5542,5542,DB07965,6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile,DrugBank,drug,CN1CCN(CCN2C=NC3=C(NC4CCCCC4)N=C(N=C23)C#N)CC1,DRUG_5542
5543,5543,5543,5543,5543,5543,5543,5543,DB05773,Trastuzumab emtansine,DrugBank,drug,,DRUG_5543
5544,5544,5544,5544,5544,5544,5544,5544,DB03636,Glycinamide,DrugBank,drug,NCC(N)=O,DRUG_5544
5545,5545,5545,5545,5545,5545,5545,5545,DB09022,Benfluorex,DrugBank,drug,CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C1=CC=CC=C1,DRUG_5545
5546,5546,5546,5546,5546,5546,5546,5546,DB04076,Hypoxanthine,DrugBank,drug,O=C1N=CNC2=C1NC=N2,DRUG_5546
5547,5547,5547,5547,5547,5547,5547,5547,DB08873,Boceprevir,DrugBank,drug,[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C,DRUG_5547
5548,5548,5548,5548,5548,5548,5548,5548,DB11512,Dihydrostreptomycin,DrugBank,drug,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)CO,DRUG_5548
5549,5549,5549,5549,5549,5549,5549,5549,DB05801,GTI 2040,DrugBank,drug,,DRUG_5549
5550,5550,5550,5550,5550,5550,5550,5550,DB12749,Butylphthalide,DrugBank,drug,CCCCC1OC(=O)C2=C1C=CC=C2,DRUG_5550
5551,5551,5551,5551,5551,5551,5551,5551,DB13060,CEP-37440,DrugBank,drug,CNC(=O)C1=CC=CC=C1NC1=C(Cl)C=NC(NC2=CC=C3C[C@H](CCCC3=C2OC)N2CCN(CCO)CC2)=N1,DRUG_5551
5552,5552,5552,5552,5552,5552,5552,5552,DB15360,"Carfentanil, C-11",DrugBank,drug,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)O[11CH3],DRUG_5552
5553,5553,5553,5553,5553,5553,5553,5553,DB16200,Iptacopan,DrugBank,drug,CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C1=CC=C(C=C1)C(O)=O,DRUG_5553
5554,5554,5554,5554,5554,5554,5554,5554,DB02472,"7,8-dihydroinosine",DrugBank,drug,[H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],DRUG_5554
5555,5555,5555,5555,5555,5555,5555,5555,DB05207,SD118,DrugBank,drug,,DRUG_5555
5556,5556,5556,5556,5556,5556,5556,5556,DB00133,Serine,DrugBank,drug,N[C@@H](CO)C(O)=O,DRUG_5556
5557,5557,5557,5557,5557,5557,5557,5557,DB06940,"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",DrugBank,drug,CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C,DRUG_5557
5558,5558,5558,5558,5558,5558,5558,5558,DB16277,Paltusotine,DrugBank,drug,NC1CCN(CC1)C1=C(C=NC2=CC=C(C=C12)C1=C(O)C(=CC=C1)C#N)C1=CC(F)=CC(F)=C1,DRUG_5558
5559,5559,5559,5559,5559,5559,5559,5559,DB08677,N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide,DrugBank,drug,[H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C,DRUG_5559
5560,5560,5560,5560,5560,5560,5560,5560,DB13804,Benzylthiouracil,DrugBank,drug,O=C1NC(=S)NC(CC2=CC=CC=C2)=C1,DRUG_5560
5561,5561,5561,5561,5561,5561,5561,5561,DB13437,Medazepam,DrugBank,drug,CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2,DRUG_5561
5562,5562,5562,5562,5562,5562,5562,5562,DB07260,N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline,DrugBank,drug,[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1,DRUG_5562
5563,5563,5563,5563,5563,5563,5563,5563,DB08351,N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide,DrugBank,drug,CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1,DRUG_5563
5564,5564,5564,5564,5564,5564,5564,5564,DB13264,Penimepicycline,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O.[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCN(CCO)CC1)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,DRUG_5564
5565,5565,5565,5565,5565,5565,5565,5565,DB08478,N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide,DrugBank,drug,[H]N([H])C(\N=C(N([H])[H])N([H])[H])=N/C1=C(Cl)C=CC(=C1)C(F)(F)F,DRUG_5565
5566,5566,5566,5566,5566,5566,5566,5566,DB15443,Lorukafusp alfa,DrugBank,drug,,DRUG_5566
5567,5567,5567,5567,5567,5567,5567,5567,DB13010,4-isothioureidobutyronitrile,DrugBank,drug,NC(=N)SCCCC#N,DRUG_5567
5568,5568,5568,5568,5568,5568,5568,5568,DB03359,"M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene",DrugBank,drug,C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F,DRUG_5568
5569,5569,5569,5569,5569,5569,5569,5569,DB07344,"3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL",DrugBank,drug,CCOCCOCCOCCOCCOCCO,DRUG_5569
5570,5570,5570,5570,5570,5570,5570,5570,DB02084,CRA_17312,DrugBank,drug,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(=C([O-])C(=C1)C1=NC2=C(N1)C=C(C=C2)C(N)=N)C1=CC=CC=C1OC,DRUG_5570
5571,5571,5571,5571,5571,5571,5571,5571,DB13033,Urocortin-2,DrugBank,drug,,DRUG_5571
5572,5572,5572,5572,5572,5572,5572,5572,DB05487,Custirsen,DrugBank,drug,,DRUG_5572
5573,5573,5573,5573,5573,5573,5573,5573,DB06929,1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_5573
5574,5574,5574,5574,5574,5574,5574,5574,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",DrugBank,drug,[H][C@@]1(C)CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2,DRUG_5574
5575,5575,5575,5575,5575,5575,5575,5575,DB17097,Vorasidenib,DrugBank,drug,C[C@@H](NC1=NC(=NC(N[C@H](C)C(F)(F)F)=N1)C1=CC=CC(Cl)=N1)C(F)(F)F,DRUG_5575
5576,5576,5576,5576,5576,5576,5576,5576,DB16767,Isorhamnetin,DrugBank,drug,COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1,DRUG_5576
5577,5577,5577,5577,5577,5577,5577,5577,DB09267,Strontium ranelate,DrugBank,drug,[Sr++].[Sr++].[O-]C(=O)CN(CC([O-])=O)C1=C(C#N)C(CC([O-])=O)=C(S1)C([O-])=O,DRUG_5577
5578,5578,5578,5578,5578,5578,5578,5578,DB02256,2'-Deoxyuridine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,DRUG_5578
5579,5579,5579,5579,5579,5579,5579,5579,DB05052,MF101,DrugBank,drug,,DRUG_5579
5580,5580,5580,5580,5580,5580,5580,5580,DB08855,Leukotriene C4,DrugBank,drug,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,DRUG_5580
5581,5581,5581,5581,5581,5581,5581,5581,DB14055,(S)-Warfarin,DrugBank,drug,CC(=O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_5581
5582,5582,5582,5582,5582,5582,5582,5582,DB08755,N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,DrugBank,drug,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N,DRUG_5582
5583,5583,5583,5583,5583,5583,5583,5583,DB14988,Dalantercept,DrugBank,drug,,DRUG_5583
5584,5584,5584,5584,5584,5584,5584,5584,DB14504,"Sodium phosphate, dibasic, unspecified form",DrugBank,drug,,DRUG_5584
5585,5585,5585,5585,5585,5585,5585,5585,DB05177,DG051,DrugBank,drug,,DRUG_5585
5586,5586,5586,5586,5586,5586,5586,5586,DB08709,"2,3-diphenyl-1H-indole-7-carboxylic acid",DrugBank,drug,OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5586
5587,5587,5587,5587,5587,5587,5587,5587,DB12152,Simtuzumab,DrugBank,drug,,DRUG_5587
5588,5588,5588,5588,5588,5588,5588,5588,DB03867,3-nitro-L-tyrosine,DrugBank,drug,N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O,DRUG_5588
5589,5589,5589,5589,5589,5589,5589,5589,DB12001,Abemaciclib,DrugBank,drug,CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1,DRUG_5589
5590,5590,5590,5590,5590,5590,5590,5590,DB08059,Wortmannin,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C,DRUG_5590
5591,5591,5591,5591,5591,5591,5591,5591,DB06603,Panobinostat,DrugBank,drug,CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1,DRUG_5591
5592,5592,5592,5592,5592,5592,5592,5592,DB12537,"1,2-Benzodiazepine",DrugBank,drug,N1N=CC=CC2=CC=CC=C12,DRUG_5592
5593,5593,5593,5593,5593,5593,5593,5593,DB12296,GS-5745,DrugBank,drug,,DRUG_5593
5594,5594,5594,5594,5594,5594,5594,5594,DB15461,Yersinia pestis 195/p antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_5594
5595,5595,5595,5595,5595,5595,5595,5595,DB01354,Heptabarbital,DrugBank,drug,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,DRUG_5595
5596,5596,5596,5596,5596,5596,5596,5596,DB09484,Sodium fluorophosphate,DrugBank,drug,[Na+].[Na+].[O-]P([O-])(F)=O,DRUG_5596
5597,5597,5597,5597,5597,5597,5597,5597,DB01425,Alizapride,DrugBank,drug,COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C,DRUG_5597
5598,5598,5598,5598,5598,5598,5598,5598,DB06446,Dotarizine,DrugBank,drug,C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1,DRUG_5598
5599,5599,5599,5599,5599,5599,5599,5599,DB07339,"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione",DrugBank,drug,[H][C@@]1(O)CN(C)C2=CC(=O)C(=O)C=C12,DRUG_5599
5600,5600,5600,5600,5600,5600,5600,5600,DB07753,"3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=CC(F)=CC(F)=C1,DRUG_5600
5601,5601,5601,5601,5601,5601,5601,5601,DB15772,CA-170,DrugBank,drug,,DRUG_5601
5602,5602,5602,5602,5602,5602,5602,5602,DB08609,"(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide",DrugBank,drug,[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1,DRUG_5602
5603,5603,5603,5603,5603,5603,5603,5603,DB09128,Brexpiprazole,DrugBank,drug,O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1,DRUG_5603
5604,5604,5604,5604,5604,5604,5604,5604,DB05418,GW 597599,DrugBank,drug,,DRUG_5604
5605,5605,5605,5605,5605,5605,5605,5605,DB02105,"3,5-Dinitrocatechol",DrugBank,drug,OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,DRUG_5605
5606,5606,5606,5606,5606,5606,5606,5606,DB01600,Tiaprofenic acid,DrugBank,drug,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1,DRUG_5606
5607,5607,5607,5607,5607,5607,5607,5607,DB02506,"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid",DrugBank,drug,[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC,DRUG_5607
5608,5608,5608,5608,5608,5608,5608,5608,DB11969,Uprosertib,DrugBank,drug,CN1N=CC(Cl)=C1C1=C(Cl)OC(=C1)C(=O)N[C@H](CN)CC1=CC=C(F)C(F)=C1,DRUG_5608
5609,5609,5609,5609,5609,5609,5609,5609,DB00969,Alosetron,DrugBank,drug,CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2,DRUG_5609
5610,5610,5610,5610,5610,5610,5610,5610,DB03710,[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium,DrugBank,drug,CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O,DRUG_5610
5611,5611,5611,5611,5611,5611,5611,5611,DB05116,Thymectacin,DrugBank,drug,COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O)OC1=CC=CC=C1,DRUG_5611
5612,5612,5612,5612,5612,5612,5612,5612,DB03333,(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester,DrugBank,drug,NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1,DRUG_5612
5613,5613,5613,5613,5613,5613,5613,5613,DB12077,Urelumab,DrugBank,drug,,DRUG_5613
5614,5614,5614,5614,5614,5614,5614,5614,DB03695,Piritrexim,DrugBank,drug,COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,DRUG_5614
5615,5615,5615,5615,5615,5615,5615,5615,DB11800,Tivozanib,DrugBank,drug,COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1,DRUG_5615
5616,5616,5616,5616,5616,5616,5616,5616,DB02131,N-1-methylheptylformamide,DrugBank,drug,[H]N(C=O)[C@H](C)CCCCCC,DRUG_5616
5617,5617,5617,5617,5617,5617,5617,5617,DB08740,"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE",DrugBank,drug,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C,DRUG_5617
5618,5618,5618,5618,5618,5618,5618,5618,DB15274,Pertussis vaccine,DrugBank,drug,,DRUG_5618
5619,5619,5619,5619,5619,5619,5619,5619,DB11811,Arhalofenate,DrugBank,drug,CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1,DRUG_5619
5620,5620,5620,5620,5620,5620,5620,5620,DB08806,Roxatidine acetate,DrugBank,drug,CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1,DRUG_5620
5621,5621,5621,5621,5621,5621,5621,5621,DB16407,Azvudine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F,DRUG_5621
5622,5622,5622,5622,5622,5622,5622,5622,DB17063,ZK-93423,DrugBank,drug,CCOC(=O)C1=NC=C2NC3=C(C=C(OCC4=CC=CC=C4)C=C3)C2=C1COC,DRUG_5622
5623,5623,5623,5623,5623,5623,5623,5623,DB12441,Tavilermide,DrugBank,drug,NCCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C2=C(OCC[C@H](NC1=O)C(=O)NCC(O)=O)C=CC(=C2)[N+]([O-])=O,DRUG_5623
5624,5624,5624,5624,5624,5624,5624,5624,DB04919,Alfimeprase,DrugBank,drug,,DRUG_5624
5625,5625,5625,5625,5625,5625,5625,5625,DB09552,Thonzonium,DrugBank,drug,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1,DRUG_5625
5626,5626,5626,5626,5626,5626,5626,5626,DB12853,DA-6886,DrugBank,drug,COC1=CC(N)=C(Cl)C=C1C(=O)NCC1CCN(CCCN2C=CN=N2)CC1,DRUG_5626
5627,5627,5627,5627,5627,5627,5627,5627,DB08122,"N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide",DrugBank,drug,[H]\C(NC1=CC=C(C=C1)S(=O)(=O)NC)=C1\C(=O)NC2=CC=CC=C12,DRUG_5627
5628,5628,5628,5628,5628,5628,5628,5628,DB00352,Tioguanine,DrugBank,drug,NC1=NC(=S)C2=C(N1)N=CN2,DRUG_5628
5629,5629,5629,5629,5629,5629,5629,5629,DB04843,Mepenzolate,DrugBank,drug,C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5629
5630,5630,5630,5630,5630,5630,5630,5630,DB04560,"4,7-Dioxosebacic Acid",DrugBank,drug,OC(=O)CCC(=O)CCC(=O)CCC(O)=O,DRUG_5630
5631,5631,5631,5631,5631,5631,5631,5631,DB06408,Taribavirin,DrugBank,drug,NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_5631
5632,5632,5632,5632,5632,5632,5632,5632,DB13872,Lormetazepam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl,DRUG_5632
5633,5633,5633,5633,5633,5633,5633,5633,DB12321,Ifetroban,DrugBank,drug,CCCCCNC(=O)C1=COC(=N1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1CC1=CC=CC=C1CCC(O)=O,DRUG_5633
5634,5634,5634,5634,5634,5634,5634,5634,DB07128,"N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE",DrugBank,drug,CCCCNC1=CC(C)=NC2=NC(NC3=CC(Cl)=CC=C3C)=NN12,DRUG_5634
5635,5635,5635,5635,5635,5635,5635,5635,DB16820,LetibotulinumtoxinA,DrugBank,drug,,DRUG_5635
5636,5636,5636,5636,5636,5636,5636,5636,DB06724,Calcium carbonate,DrugBank,drug,[Ca++].[O-]C([O-])=O,DRUG_5636
5637,5637,5637,5637,5637,5637,5637,5637,DB00366,Doxylamine,DrugBank,drug,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1,DRUG_5637
5638,5638,5638,5638,5638,5638,5638,5638,DB00520,Caspofungin,DrugBank,drug,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@]([H])(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O,DRUG_5638
5639,5639,5639,5639,5639,5639,5639,5639,DB09333,Iopodic acid,DrugBank,drug,CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I,DRUG_5639
5640,5640,5640,5640,5640,5640,5640,5640,DB14787,BMS-830216,DrugBank,drug,COC1=CC(=CC=C1OC[C@H](OP(O)(O)=O)C1CC1)N1C=NC2=C(SC(=C2)C2=CC=C(Cl)C=C2)C1=O,DRUG_5640
5641,5641,5641,5641,5641,5641,5641,5641,DB00961,Mepivacaine,DrugBank,drug,CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,DRUG_5641
5642,5642,5642,5642,5642,5642,5642,5642,DB11889,Lanicemine,DrugBank,drug,N[C@@H](CC1=CC=CC=N1)C1=CC=CC=C1,DRUG_5642
5643,5643,5643,5643,5643,5643,5643,5643,DB15323,Trelagliptin,DrugBank,drug,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=CC(F)=CC=C2C#N)C1=O,DRUG_5643
5644,5644,5644,5644,5644,5644,5644,5644,DB06700,Desvenlafaxine,DrugBank,drug,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,DRUG_5644
5645,5645,5645,5645,5645,5645,5645,5645,DB01156,Bupropion,DrugBank,drug,CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1,DRUG_5645
5646,5646,5646,5646,5646,5646,5646,5646,DB14068,Dexniguldipine,DrugBank,drug,[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,DRUG_5646
5647,5647,5647,5647,5647,5647,5647,5647,DB09198,Lobeglitazone,DrugBank,drug,COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,DRUG_5647
5648,5648,5648,5648,5648,5648,5648,5648,DB11694,Ilorasertib,DrugBank,drug,NC1=C2C(SC=C2C2=CC=C(NC(=O)NC3=CC(F)=CC=C3)C=C2)=C(C=N1)C1=CN(CCO)N=C1,DRUG_5648
5649,5649,5649,5649,5649,5649,5649,5649,DB06777,Chenodeoxycholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,DRUG_5649
5650,5650,5650,5650,5650,5650,5650,5650,DB09247,Iproclozide,DrugBank,drug,CC(C)NNC(=O)COC1=CC=C(Cl)C=C1,DRUG_5650
5651,5651,5651,5651,5651,5651,5651,5651,DB03683,2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid,DrugBank,drug,[H][C@@](CC(C)C)(CN(O)C=O)C(O)=O,DRUG_5651
5652,5652,5652,5652,5652,5652,5652,5652,DB07422,(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide,DrugBank,drug,C[C@](O)(COC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O,DRUG_5652
5653,5653,5653,5653,5653,5653,5653,5653,DB01622,Thioproperazine,DrugBank,drug,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,DRUG_5653
5654,5654,5654,5654,5654,5654,5654,5654,DB00547,Desoximetasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_5654
5655,5655,5655,5655,5655,5655,5655,5655,DB14635,Curcumin sulfate,DrugBank,drug,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O,DRUG_5655
5656,5656,5656,5656,5656,5656,5656,5656,DB13622,Selenium (75Se) norcholesterol,DrugBank,drug,C[75Se]C[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2C2=C1C[C@@H](O)CC2,DRUG_5656
5657,5657,5657,5657,5657,5657,5657,5657,DB12016,Ponesimod,DrugBank,drug,CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C1=CC=CC=C1C,DRUG_5657
5658,5658,5658,5658,5658,5658,5658,5658,DB04858,Tirapazamine,DrugBank,drug,NC1=[N+]([O-])C2=C(C=CC=C2)[N+]([O-])=N1,DRUG_5658
5659,5659,5659,5659,5659,5659,5659,5659,DB06168,Canakinumab,DrugBank,drug,,DRUG_5659
5660,5660,5660,5660,5660,5660,5660,5660,DB11866,Romosozumab,DrugBank,drug,,DRUG_5660
5661,5661,5661,5661,5661,5661,5661,5661,DB04080,RU78191,DrugBank,drug,OC(=O)C(C(O)=O)C1=CC=CC=C1,DRUG_5661
5662,5662,5662,5662,5662,5662,5662,5662,DB17143,APTO-253,DrugBank,drug,CC1=C(C2=NC3=C(N2)C2=CC=CN=C2C2=C3C=CC=N2)C2=C(N1)C=CC(F)=C2,DRUG_5662
5663,5663,5663,5663,5663,5663,5663,5663,DB11962,GSK-1059615,DrugBank,drug,O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1,DRUG_5663
5664,5664,5664,5664,5664,5664,5664,5664,DB11751,Cabotegravir,DrugBank,drug,[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N1[C@@H](C)CO2,DRUG_5664
5665,5665,5665,5665,5665,5665,5665,5665,DB00826,Natamycin,DrugBank,drug,[H][C@@]12C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@]4([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]4O)\C=C\C=C\C=C\C=C\C[C@@H](C)OC(=O)\C=C\[C@@]1([H])O2)O3,DRUG_5665
5666,5666,5666,5666,5666,5666,5666,5666,DB04442,"Imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-benzimidazol-5-yl]methanaminium",DrugBank,drug,NC(=[NH2+])C1=CC2=C(NC(=N2)C2=CC=CNC2=O)C=C1,DRUG_5666
5667,5667,5667,5667,5667,5667,5667,5667,DB03804,5-Bromothienyldeoxyuridine,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=C(C2=CC=C(Br)S2)C(=O)NC1=O,DRUG_5667
5668,5668,5668,5668,5668,5668,5668,5668,DB04678,H TYPE II TRISACCHARIDE,DrugBank,drug,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O,DRUG_5668
5669,5669,5669,5669,5669,5669,5669,5669,DB08836,Temocapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1,DRUG_5669
5670,5670,5670,5670,5670,5670,5670,5670,DB00341,Cetirizine,DrugBank,drug,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_5670
5671,5671,5671,5671,5671,5671,5671,5671,DB08235,N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide,DrugBank,drug,CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1,DRUG_5671
5672,5672,5672,5672,5672,5672,5672,5672,DB08787,"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine",DrugBank,drug,NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1,DRUG_5672
5673,5673,5673,5673,5673,5673,5673,5673,DB04088,2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid,DrugBank,drug,[H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C,DRUG_5673
5674,5674,5674,5674,5674,5674,5674,5674,DB03439,"4,6-dideoxy-4-amino-alpha-D-glucose",DrugBank,drug,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N,DRUG_5674
5675,5675,5675,5675,5675,5675,5675,5675,DB08962,Glibornuride,DrugBank,drug,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N[C@@H]1[C@H](O)[C@]2(C)CC[C@H]1C2(C)C,DRUG_5675
5676,5676,5676,5676,5676,5676,5676,5676,DB13687,Niaprazine,DrugBank,drug,CC(CCN1CCN(CC1)C1=CC=C(F)C=C1)NC(=O)C1=CN=CC=C1,DRUG_5676
5677,5677,5677,5677,5677,5677,5677,5677,DB00541,Vincristine,DrugBank,drug,[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC5=C4NC4=CC=CC=C54)C(=O)OC)N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC,DRUG_5677
5678,5678,5678,5678,5678,5678,5678,5678,DB06706,Isometheptene,DrugBank,drug,CNC(C)CCC=C(C)C,DRUG_5678
5679,5679,5679,5679,5679,5679,5679,5679,DB02015,Dihydrofolic Acid,DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(NCC2=NC3=C(NC2)NC(=N)N=C3O)C=C1)C(O)=O,DRUG_5679
5680,5680,5680,5680,5680,5680,5680,5680,DB00063,Eptifibatide,DrugBank,drug,,DRUG_5680
5681,5681,5681,5681,5681,5681,5681,5681,DB08385,4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid,DrugBank,drug,OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1,DRUG_5681
5682,5682,5682,5682,5682,5682,5682,5682,DB14486,Niacinamide ascorbate,DrugBank,drug,NC(=O)C1=CN=CC=C1.[H]C(O)(CO)[C@@]1([H])OC(=O)C(O)=C1O,DRUG_5682
5683,5683,5683,5683,5683,5683,5683,5683,DB07104,4-amino-N-[4-(benzyloxy)phenyl]butanamide,DrugBank,drug,NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,DRUG_5683
5684,5684,5684,5684,5684,5684,5684,5684,DB05294,Vandetanib,DrugBank,drug,COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1,DRUG_5684
5685,5685,5685,5685,5685,5685,5685,5685,DB08190,N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide,DrugBank,drug,COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1,DRUG_5685
5686,5686,5686,5686,5686,5686,5686,5686,DB00106,Abarelix,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_5686
5687,5687,5687,5687,5687,5687,5687,5687,DB01956,Taurine,DrugBank,drug,NCCS(O)(=O)=O,DRUG_5687
5688,5688,5688,5688,5688,5688,5688,5688,DB06716,Fospropofol,DrugBank,drug,CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O,DRUG_5688
5689,5689,5689,5689,5689,5689,5689,5689,DB07174,"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE",DrugBank,drug,CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1,DRUG_5689
5690,5690,5690,5690,5690,5690,5690,5690,DB06111,AB192,DrugBank,drug,,DRUG_5690
5691,5691,5691,5691,5691,5691,5691,5691,DB09030,Vorapaxar,DrugBank,drug,[H][C@@]12C[C@]3([H])C[C@@H](CC[C@@]3([H])[C@H](\C=C\C3=CC=C(C=N3)C3=CC(F)=CC=C3)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC,DRUG_5691
5692,5692,5692,5692,5692,5692,5692,5692,DB07403,"4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE",DrugBank,drug,CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)[C@@](C)(O)C(F)(F)F)C(Cl)=C1,DRUG_5692
5693,5693,5693,5693,5693,5693,5693,5693,DB02942,"Inositol 1,3-Bisphosphate",DrugBank,drug,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O,DRUG_5693
5694,5694,5694,5694,5694,5694,5694,5694,DB06276,Tanomastat,DrugBank,drug,OC(=O)[C@@H](CSC1=CC=CC=C1)CC(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1,DRUG_5694
5695,5695,5695,5695,5695,5695,5695,5695,DB01435,Antipyrine,DrugBank,drug,CN1N(C(=O)C=C1C)C1=CC=CC=C1,DRUG_5695
5696,5696,5696,5696,5696,5696,5696,5696,DB01876,Bis(5-Amidino-2-Benzimidazolyl)Methanone,DrugBank,drug,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C(N)=N,DRUG_5696
5697,5697,5697,5697,5697,5697,5697,5697,DB07375,Etiocholanedione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,DRUG_5697
5698,5698,5698,5698,5698,5698,5698,5698,DB04832,Zimelidine,DrugBank,drug,CN(C)C\C=C(\C1=CC=C(Br)C=C1)C1=CC=CN=C1,DRUG_5698
5699,5699,5699,5699,5699,5699,5699,5699,DB08905,Formestane,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C,DRUG_5699
5700,5700,5700,5700,5700,5700,5700,5700,DB00428,Streptozocin,DrugBank,drug,CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_5700
5701,5701,5701,5701,5701,5701,5701,5701,DB07559,"(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide",DrugBank,drug,C\C(O)=C(/C#N)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC=CC=C1Cl,DRUG_5701
5702,5702,5702,5702,5702,5702,5702,5702,DB06678,Esmirtazapine,DrugBank,drug,[H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1,DRUG_5702
5703,5703,5703,5703,5703,5703,5703,5703,DB03443,bis(5-amidino-benzimidazolyl)methanone zinc,DrugBank,drug,NC(N)C1=CC2=C(C=C1)[N+]1=C(N2)C(=O)C2=[N+]([Zn]1)C1=C(N2)C=C(C=C1)C(N)N,DRUG_5703
5704,5704,5704,5704,5704,5704,5704,5704,DB12424,MK-3207,DrugBank,drug,FC1=CC(=CC(F)=C1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)NC1=CC=C2C[C@]3(CC2=C1)C(=O)NC1=C3C=CC=N1,DRUG_5704
5705,5705,5705,5705,5705,5705,5705,5705,DB00493,Cefotaxime,DrugBank,drug,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_5705
5706,5706,5706,5706,5706,5706,5706,5706,DB04947,Altropane,DrugBank,drug,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C(F)C=C1)C(=O)OC)N2C\C=C\I,DRUG_5706
5707,5707,5707,5707,5707,5707,5707,5707,DB09095,Difluocortolone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_5707
5708,5708,5708,5708,5708,5708,5708,5708,DB08342,S-palmitoyl-L-cysteine,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O,DRUG_5708
5709,5709,5709,5709,5709,5709,5709,5709,DB06373,ASI402,DrugBank,drug,,DRUG_5709
5710,5710,5710,5710,5710,5710,5710,5710,DB11235,Thonzylamine,DrugBank,drug,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1,DRUG_5710
5711,5711,5711,5711,5711,5711,5711,5711,DB01613,Erythrityl tetranitrate,DrugBank,drug,[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O,DRUG_5711
5712,5712,5712,5712,5712,5712,5712,5712,DB03896,Triphosphoric acid,DrugBank,drug,OP(O)(=O)OP(O)(=O)OP(O)(O)=O,DRUG_5712
5713,5713,5713,5713,5713,5713,5713,5713,DB01615,Aceprometazine,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C,DRUG_5713
5714,5714,5714,5714,5714,5714,5714,5714,DB05829,Parathyroid hormone,DrugBank,drug,,DRUG_5714
5715,5715,5715,5715,5715,5715,5715,5715,DB06441,Cangrelor,DrugBank,drug,CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1,DRUG_5715
5716,5716,5716,5716,5716,5716,5716,5716,DB06991,"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide",DrugBank,drug,[H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC,DRUG_5716
5717,5717,5717,5717,5717,5717,5717,5717,DB11471,Tilmicosin,DrugBank,drug,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,DRUG_5717
5718,5718,5718,5718,5718,5718,5718,5718,DB08053,"1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DrugBank,drug,COC1=C(OC)C=C(C=C1)C1=NN(C2CCC2)C2=NC=NC(N)=C12,DRUG_5718
5719,5719,5719,5719,5719,5719,5719,5719,DB04600,"4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",DrugBank,drug,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1Br,DRUG_5719
5720,5720,5720,5720,5720,5720,5720,5720,DB08857,Bamet-UD2,DrugBank,drug,,DRUG_5720
5721,5721,5721,5721,5721,5721,5721,5721,DB00859,Penicillamine,DrugBank,drug,[H][C@](N)(C(O)=O)C(C)(C)S,DRUG_5721
5722,5722,5722,5722,5722,5722,5722,5722,DB14967,Margetuximab,DrugBank,drug,,DRUG_5722
5723,5723,5723,5723,5723,5723,5723,5723,DB11923,Decoglurant,DrugBank,drug,NC1=CC=C(C=N1)C#CC1=C2N=C(C=C(N2N=C1)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)F,DRUG_5723
5724,5724,5724,5724,5724,5724,5724,5724,DB00115,Cyanocobalamin,DrugBank,drug,C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2,DRUG_5724
5725,5725,5725,5725,5725,5725,5725,5725,DB03096,2-Morpholinoethylamine,DrugBank,drug,NCCN1CCOCC1,DRUG_5725
5726,5726,5726,5726,5726,5726,5726,5726,DB19199,ABBV-744,DrugBank,drug,CCNC(=O)C1=CC2=C(N1)C(=O)N(C)C=C2C1=CC(=CC=C1OC1=C(C)C=C(F)C=C1C)C(C)(C)O,DRUG_5726
5727,5727,5727,5727,5727,5727,5727,5727,DB06980,(2S)-2-(1H-indol-3-yl)hexanoic acid,DrugBank,drug,[H][C@@](CCCC)(C(O)=O)C1=CNC2=C1C=CC=C2,DRUG_5727
5728,5728,5728,5728,5728,5728,5728,5728,DB16186,PEN-866,DrugBank,drug,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CCN4C=CC5=CC(=CC=C45)N4C(=O)NN=C4C4=CC(C(C)C)=C(O)C=C4O)CC3)C=C12,DRUG_5728
5729,5729,5729,5729,5729,5729,5729,5729,DB06017,C326,DrugBank,drug,,DRUG_5729
5730,5730,5730,5730,5730,5730,5730,5730,DB11136,Chromium,DrugBank,drug,[Cr],DRUG_5730
5731,5731,5731,5731,5731,5731,5731,5731,DB14506,Lithium hydroxide,DrugBank,drug,[Li+].[OH-],DRUG_5731
5732,5732,5732,5732,5732,5732,5732,5732,DB00708,Sufentanil,DrugBank,drug,CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1,DRUG_5732
5733,5733,5733,5733,5733,5733,5733,5733,DB00677,Isoflurophate,DrugBank,drug,CC(C)OP(F)(=O)OC(C)C,DRUG_5733
5734,5734,5734,5734,5734,5734,5734,5734,DB01998,"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol",DrugBank,drug,[H][C@@](O)(CCCCCCC)C[C@@]1([H])O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,DRUG_5734
5735,5735,5735,5735,5735,5735,5735,5735,DB11849,Emibetuzumab,DrugBank,drug,,DRUG_5735
5736,5736,5736,5736,5736,5736,5736,5736,DB00382,Tacrine,DrugBank,drug,NC1=C2CCCCC2=NC2=CC=CC=C12,DRUG_5736
5737,5737,5737,5737,5737,5737,5737,5737,DB06534,Thrombopoietin,DrugBank,drug,,DRUG_5737
5738,5738,5738,5738,5738,5738,5738,5738,DB01761,4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine,DrugBank,drug,C[C@H](NC1=NC(=CC=N1)C1=C(N=C(C2CCNCC2)N1C)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1,DRUG_5738
5739,5739,5739,5739,5739,5739,5739,5739,DB00689,Cephaloglycin,DrugBank,drug,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,DRUG_5739
5740,5740,5740,5740,5740,5740,5740,5740,DB11601,Tuberculin purified protein derivative,DrugBank,drug,,DRUG_5740
5741,5741,5741,5741,5741,5741,5741,5741,DB17298,Disufenton,DrugBank,drug,CC(C)(C)[N+](\[O-])=C\C1=C(C=C(C=C1)S(O)(=O)=O)S(O)(=O)=O,DRUG_5741
5742,5742,5742,5742,5742,5742,5742,5742,DB07228,1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA,DrugBank,drug,[H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1,DRUG_5742
5743,5743,5743,5743,5743,5743,5743,5743,DB00810,Biperiden,DrugBank,drug,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1,DRUG_5743
5744,5744,5744,5744,5744,5744,5744,5744,DB04961,Troxacitabine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1CO[C@H](CO)O1,DRUG_5744
5745,5745,5745,5745,5745,5745,5745,5745,DB13961,Fish oil,DrugBank,drug,,DRUG_5745
5746,5746,5746,5746,5746,5746,5746,5746,DB04234,N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide,DrugBank,drug,[H][C@@](CCCC)(NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=C(Br)C=C1)C=O,DRUG_5746
5747,5747,5747,5747,5747,5747,5747,5747,DB16454,XPro1595,DrugBank,drug,,DRUG_5747
5748,5748,5748,5748,5748,5748,5748,5748,DB00882,Clomifene,DrugBank,drug,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5748
5749,5749,5749,5749,5749,5749,5749,5749,DB03597,gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine,DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_5749
5750,5750,5750,5750,5750,5750,5750,5750,DB04160,Pyrophosphoric acid,DrugBank,drug,OP(O)(=O)OP(O)(O)=O,DRUG_5750
5751,5751,5751,5751,5751,5751,5751,5751,DB13357,Styramate,DrugBank,drug,NC(=O)OCC(O)C1=CC=CC=C1,DRUG_5751
5752,5752,5752,5752,5752,5752,5752,5752,DB00834,Mifepristone,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_5752
5753,5753,5753,5753,5753,5753,5753,5753,DB01791,Piclamilast,DrugBank,drug,COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl,DRUG_5753
5754,5754,5754,5754,5754,5754,5754,5754,DB11201,Menthyl salicylate,DrugBank,drug,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC=CC=C1O,DRUG_5754
5755,5755,5755,5755,5755,5755,5755,5755,DB03727,Coproporphyrin I,DrugBank,drug,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C,DRUG_5755
5756,5756,5756,5756,5756,5756,5756,5756,DB01786,D-Alanine,DrugBank,drug,C[C@@H](N)C(O)=O,DRUG_5756
5757,5757,5757,5757,5757,5757,5757,5757,DB16233,Milvexian,DrugBank,drug,C[C@@H]1CCC[C@H](N2C=NC(=CC2=O)C2=CC(Cl)=CC=C2N2C=C(Cl)N=N2)C2=CC(=CC=N2)C2=C(NC1=O)C=NN2C(F)F,DRUG_5757
5758,5758,5758,5758,5758,5758,5758,5758,DB07276,"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE",DrugBank,drug,CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC,DRUG_5758
5759,5759,5759,5759,5759,5759,5759,5759,DB08250,"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE",DrugBank,drug,CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,DRUG_5759
5760,5760,5760,5760,5760,5760,5760,5760,DB00981,Physostigmine,DrugBank,drug,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C,DRUG_5760
5761,5761,5761,5761,5761,5761,5761,5761,DB19314,Nemonapride,DrugBank,drug,CNC1=CC(OC)=C(C=C1Cl)C(=O)N[C@@H]1CCN(CC2=CC=CC=C2)[C@@H]1C,DRUG_5761
5762,5762,5762,5762,5762,5762,5762,5762,DB08094,RO-4584820,DrugBank,drug,COC1=CC=C(F)C(F)=C1C(=O)C1=CN=C(NC2CCN(CC2)S(C)(=O)=O)N=C1N,DRUG_5762
5763,5763,5763,5763,5763,5763,5763,5763,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",DrugBank,drug,O=C1CCCCC2=C3N=C(NC4=CC(N1)=CC=C4)N=C(NC1CC1)N3N=C2,DRUG_5763
5764,5764,5764,5764,5764,5764,5764,5764,DB12836,Grapiprant,DrugBank,drug,CCC1=NC2=C(C)N=C(C)C=C2N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1,DRUG_5764
5765,5765,5765,5765,5765,5765,5765,5765,DB11281,Bismuth subcarbonate,DrugBank,drug,[O--].[O--].[Bi+3].[Bi+3].[O-]C([O-])=O,DRUG_5765
5766,5766,5766,5766,5766,5766,5766,5766,DB00310,Chlorthalidone,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12,DRUG_5766
5767,5767,5767,5767,5767,5767,5767,5767,DB07148,"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one",DrugBank,drug,[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1,DRUG_5767
5768,5768,5768,5768,5768,5768,5768,5768,DB00219,Oxyphenonium,DrugBank,drug,CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,DRUG_5768
5769,5769,5769,5769,5769,5769,5769,5769,DB06789,Hydroxyprogesterone caproate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_5769
5770,5770,5770,5770,5770,5770,5770,5770,DB04888,Bifeprunox,DrugBank,drug,O=C1NC2=C(O1)C(=CC=C2)N1CCN(CC2=CC(=CC=C2)C2=CC=CC=C2)CC1,DRUG_5770
5771,5771,5771,5771,5771,5771,5771,5771,DB18834,Ensitrelvir,DrugBank,drug,CN1C=NC(CN2C(=O)NC(=NC3=CC4=CN(C)N=C4C=C3Cl)N(CC3=CC(F)=C(F)C=C3F)C2=O)=N1,DRUG_5771
5772,5772,5772,5772,5772,5772,5772,5772,DB04419,D-norleucine,DrugBank,drug,CCCC[C@@H](N)C(O)=O,DRUG_5772
5773,5773,5773,5773,5773,5773,5773,5773,DB05259,Glatiramer,DrugBank,drug,,DRUG_5773
5774,5774,5774,5774,5774,5774,5774,5774,DB01295,Bevantolol,DrugBank,drug,COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1,DRUG_5774
5775,5775,5775,5775,5775,5775,5775,5775,DB07539,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,DRUG_5775
5776,5776,5776,5776,5776,5776,5776,5776,DB09156,Iopromide,DrugBank,drug,COCC(=O)NC1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,DRUG_5776
5777,5777,5777,5777,5777,5777,5777,5777,DB12702,Velusetrag,DrugBank,drug,CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O,DRUG_5777
5778,5778,5778,5778,5778,5778,5778,5778,DB06578,Tonabersat,DrugBank,drug,CC(=O)C1=CC=C2OC(C)(C)[C@@H](O)[C@@H](NC(=O)C3=CC=C(F)C(Cl)=C3)C2=C1,DRUG_5778
5779,5779,5779,5779,5779,5779,5779,5779,DB13403,Oxypertine,DrugBank,drug,COC1=C(OC)C=C2C(NC(C)=C2CCN2CCN(CC2)C2=CC=CC=C2)=C1,DRUG_5779
5780,5780,5780,5780,5780,5780,5780,5780,DB07300,"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine",DrugBank,drug,COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1,DRUG_5780
5781,5781,5781,5781,5781,5781,5781,5781,DB06484,FK352B,DrugBank,drug,OC(=O)C[C@H]1CCCCN1C(=O)\C=C\C1=C2C=CC=CN2N=C1C1=CC=CC=C1,DRUG_5781
5782,5782,5782,5782,5782,5782,5782,5782,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",DrugBank,drug,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12CCOCC1=CC(F)=CC(F)=C1,DRUG_5782
5783,5783,5783,5783,5783,5783,5783,5783,DB01852,Kaempherol,DrugBank,drug,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O,DRUG_5783
5784,5784,5784,5784,5784,5784,5784,5784,DB18091,LNS-8801,DrugBank,drug,[H][C@]12CC=C[C@@]1([H])C1=CC(=CC=C1N[C@H]2C1=CC2=C(OCO2)C=C1Br)C(C)=O,DRUG_5784
5785,5785,5785,5785,5785,5785,5785,5785,DB02482,Phosphonothreonine,DrugBank,drug,C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O,DRUG_5785
5786,5786,5786,5786,5786,5786,5786,5786,DB01698,Rutin,DrugBank,drug,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,DRUG_5786
5787,5787,5787,5787,5787,5787,5787,5787,DB00376,Trihexyphenidyl,DrugBank,drug,OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1,DRUG_5787
5788,5788,5788,5788,5788,5788,5788,5788,DB11912,Lanopepden,DrugBank,drug,CC1=NC(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)=C(F)C(=N1)N1CCN2CCOC[C@@H]2C1,DRUG_5788
5789,5789,5789,5789,5789,5789,5789,5789,DB06718,Stanozolol,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C,DRUG_5789
5790,5790,5790,5790,5790,5790,5790,5790,DB07335,"3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL",DrugBank,drug,CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1,DRUG_5790
5791,5791,5791,5791,5791,5791,5791,5791,DB13700,Protamine,DrugBank,drug,,DRUG_5791
5792,5792,5792,5792,5792,5792,5792,5792,DB01294,Bismuth subsalicylate,DrugBank,drug,O[Bi]1OC(=O)C2=CC=CC=C2O1,DRUG_5792
5793,5793,5793,5793,5793,5793,5793,5793,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",DrugBank,drug,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,DRUG_5793
5794,5794,5794,5794,5794,5794,5794,5794,DB06549,Labradimil,DrugBank,drug,COC1=CC=C(C[C@@H](CN[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CS2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)C=C1,DRUG_5794
5795,5795,5795,5795,5795,5795,5795,5795,DB01548,Diprenorphine,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O,DRUG_5795
5796,5796,5796,5796,5796,5796,5796,5796,DB06479,Propentofylline,DrugBank,drug,CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,DRUG_5796
5797,5797,5797,5797,5797,5797,5797,5797,DB02726,2-Phosphoglycolic Acid,DrugBank,drug,OC(=O)COP(O)(O)=O,DRUG_5797
5798,5798,5798,5798,5798,5798,5798,5798,DB08370,S-(4-BROMOBENZYL)CYSTEINE,DrugBank,drug,[H][C@](N)(CSCC1=CC=C(Br)C=C1)C(O)=O,DRUG_5798
5799,5799,5799,5799,5799,5799,5799,5799,DB08163,5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine,DrugBank,drug,[H][C@]1(CN(C)CCCCON)O[C@@]([H])(N2C(C=C)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_5799
5800,5800,5800,5800,5800,5800,5800,5800,DB18968,Elinzanetant,DrugBank,drug,[H][C@]12COCCN1C[C@@H](CO)N(C2)C1=CC(=C(C=N1)N(C)C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC=C(F)C=C1C,DRUG_5800
5801,5801,5801,5801,5801,5801,5801,5801,DB02988,Imino-Tryptophan,DrugBank,drug,[H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O,DRUG_5801
5802,5802,5802,5802,5802,5802,5802,5802,DB00580,Valdecoxib,DrugBank,drug,CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_5802
5803,5803,5803,5803,5803,5803,5803,5803,DB13520,Metergoline,DrugBank,drug,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C,DRUG_5803
5804,5804,5804,5804,5804,5804,5804,5804,DB13791,Penfluridol,DrugBank,drug,OC1(CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F,DRUG_5804
5805,5805,5805,5805,5805,5805,5805,5805,DB04910,Oxibendazole,DrugBank,drug,CCCOC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,DRUG_5805
5806,5806,5806,5806,5806,5806,5806,5806,DB04559,N-(Chlorophenyl)-N'-hydroxyguanidine,DrugBank,drug,N\C(NO)=N/C1=CC=C(Cl)C=C1,DRUG_5806
5807,5807,5807,5807,5807,5807,5807,5807,DB13418,Moxestrol,DrugBank,drug,CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(O)=CC=C3[C@@H]12,DRUG_5807
5808,5808,5808,5808,5808,5808,5808,5808,DB11698,Ipragliflozin,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(F)C(CC2=CC3=CC=CC=C3S2)=C1,DRUG_5808
5809,5809,5809,5809,5809,5809,5809,5809,DB04203,3-Mercuri-4-Aminobenzenesulfonamide,DrugBank,drug,NC1=CC=C(C=C1[Hg])S(N)(=O)=O,DRUG_5809
5810,5810,5810,5810,5810,5810,5810,5810,DB00594,Amiloride,DrugBank,drug,NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N,DRUG_5810
5811,5811,5811,5811,5811,5811,5811,5811,DB00188,Bortezomib,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O,DRUG_5811
5812,5812,5812,5812,5812,5812,5812,5812,DB02728,7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester,DrugBank,drug,CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O,DRUG_5812
5813,5813,5813,5813,5813,5813,5813,5813,DB06597,Estradiol sulfamate,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OS(N)(=O)=O)C=C3CC[C@@]21[H],DRUG_5813
5814,5814,5814,5814,5814,5814,5814,5814,DB01143,Amifostine,DrugBank,drug,NCCCNCCSP(O)(O)=O,DRUG_5814
5815,5815,5815,5815,5815,5815,5815,5815,DB07271,"4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one",DrugBank,drug,N[C@@H](CC(=O)N1CCCNC(=O)C1CC(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,DRUG_5815
5816,5816,5816,5816,5816,5816,5816,5816,DB02096,FR221647,DrugBank,drug,[H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O,DRUG_5816
5817,5817,5817,5817,5817,5817,5817,5817,DB17587,KIN-3248,DrugBank,drug,,DRUG_5817
5818,5818,5818,5818,5818,5818,5818,5818,DB07033,5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE,DrugBank,drug,[H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O,DRUG_5818
5819,5819,5819,5819,5819,5819,5819,5819,DB11338,Clove oil,DrugBank,drug,,DRUG_5819
5820,5820,5820,5820,5820,5820,5820,5820,DB06293,Pegnivacogin,DrugBank,drug,COCCOC(=O)NCCCCC(NC(=O)OCCOC)C(=O)NCCCCCCOP(O)(O)=O,DRUG_5820
5821,5821,5821,5821,5821,5821,5821,5821,DB01208,Sparfloxacin,DrugBank,drug,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,DRUG_5821
5822,5822,5822,5822,5822,5822,5822,5822,DB12649,Ibipinabant,DrugBank,drug,CNC(=NS(=O)(=O)C1=CC=C(Cl)C=C1)N1C[C@@H](C(=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1,DRUG_5822
5823,5823,5823,5823,5823,5823,5823,5823,DB06939,"N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE",DrugBank,drug,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C)[C@@]1([H])CC[C@@]([H])(CC1)N(C)C(C)=O,DRUG_5823
5824,5824,5824,5824,5824,5824,5824,5824,DB16824,Cepharanthine,DrugBank,drug,[H][C@@]12CC3=CC(OC4=CC=C(C[C@]5([H])N(C)CCC6=C5C(OC5=CC1=C(CCN2C)C=C5OC)=C1OCOC1=C6)C=C4)=C(OC)C=C3,DRUG_5824
5825,5825,5825,5825,5825,5825,5825,5825,DB09021,Benzoctamine,DrugBank,drug,CNCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,DRUG_5825
5826,5826,5826,5826,5826,5826,5826,5826,DB01444,Dimethylthiambutene,DrugBank,drug,CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C,DRUG_5826
5827,5827,5827,5827,5827,5827,5827,5827,DB18767,Zabedosertib,DrugBank,drug,CC(C)(O)C1=CC2=NN(CCS(C)(=O)=O)C=C2C=C1NC(=O)C1=CC=CC(=N1)C(F)(F)F,DRUG_5827
5828,5828,5828,5828,5828,5828,5828,5828,DB04707,Hydroxyfasudil,DrugBank,drug,O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1,DRUG_5828
5829,5829,5829,5829,5829,5829,5829,5829,DB07136,BX-528,DrugBank,drug,CC(C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)P(O)(=O)C[C@H](C(O)=O)C1=CC=CC(CN)=C1,DRUG_5829
5830,5830,5830,5830,5830,5830,5830,5830,DB04688,Methylecgonine,DrugBank,drug,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2,DRUG_5830
5831,5831,5831,5831,5831,5831,5831,5831,DB05575,Motesanib,DrugBank,drug,CC1(C)CNC2=CC(NC(=O)C3=C(NCC4=CC=NC=C4)N=CC=C3)=CC=C12,DRUG_5831
5832,5832,5832,5832,5832,5832,5832,5832,DB07282,3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid,DrugBank,drug,COC1=CC=CC=C1\C=N/OCCC(O)=O,DRUG_5832
5833,5833,5833,5833,5833,5833,5833,5833,DB00747,Scopolamine,DrugBank,drug,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_5833
5834,5834,5834,5834,5834,5834,5834,5834,DB00174,Asparagine,DrugBank,drug,N[C@@H](CC(N)=O)C(O)=O,DRUG_5834
5835,5835,5835,5835,5835,5835,5835,5835,DB07841,Geranylgeranyl diphosphate,DrugBank,drug,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O,DRUG_5835
5836,5836,5836,5836,5836,5836,5836,5836,DB04711,Iodipamide,DrugBank,drug,OC(=O)C1=C(I)C(NC(=O)CCCCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C(I)C=C1I,DRUG_5836
5837,5837,5837,5837,5837,5837,5837,5837,DB11186,Pentoxyverine,DrugBank,drug,CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1,DRUG_5837
5838,5838,5838,5838,5838,5838,5838,5838,DB13228,Flosequinan,DrugBank,drug,CN1C=C(C(=O)C2=C1C=C(F)C=C2)S(C)=O,DRUG_5838
5839,5839,5839,5839,5839,5839,5839,5839,DB14976,Relacorilant,DrugBank,drug,CN1C=C(C=N1)S(=O)(=O)N1CCC2=CC3=C(C[C@@]2(C1)C(=O)C1=CC(=CC=N1)C(F)(F)F)C=NN3C1=CC=C(F)C=C1,DRUG_5839
5840,5840,5840,5840,5840,5840,5840,5840,DB13074,Macimorelin,DrugBank,drug,CC(C)(N)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)NC=O,DRUG_5840
5841,5841,5841,5841,5841,5841,5841,5841,DB12930,Opipramol,DrugBank,drug,OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1,DRUG_5841
5842,5842,5842,5842,5842,5842,5842,5842,DB06235,Vadimezan,DrugBank,drug,CC1=C(C)C2=C(C=C1)C(=O)C1=CC=CC(CC(O)=O)=C1O2,DRUG_5842
5843,5843,5843,5843,5843,5843,5843,5843,DB11057,Mineral oil,DrugBank,drug,,DRUG_5843
5844,5844,5844,5844,5844,5844,5844,5844,DB10989,Hepatitis A Vaccine,DrugBank,drug,,DRUG_5844
5845,5845,5845,5845,5845,5845,5845,5845,DB02540,"10-formyl-5,8,10-trideazafolic acid",DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],DRUG_5845
5846,5846,5846,5846,5846,5846,5846,5846,DB12290,Puerarin,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=CC2=C1OC=C(C2=O)C1=CC=C(O)C=C1,DRUG_5846
5847,5847,5847,5847,5847,5847,5847,5847,DB13812,Bufylline,DrugBank,drug,CC(C)(N)CO.CN1C2=C(N=CN2)C(=O)N(C)C1=O,DRUG_5847
5848,5848,5848,5848,5848,5848,5848,5848,DB12585,Ondelopran,DrugBank,drug,NC(=O)C1=CC=C(OC2=C(F)C=C(CNCCC3CCOCC3)C=C2)N=C1,DRUG_5848
5849,5849,5849,5849,5849,5849,5849,5849,DB11459,Selamectin,DrugBank,drug,[H][C@@]12OC\C3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O)[C@H](C)O4)\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)C5CCCCC5)O4)OC(=O)[C@]([H])(C=C(C)\C1=N\O)[C@@]23O,DRUG_5849
5850,5850,5850,5850,5850,5850,5850,5850,DB11478,Zeranol,DrugBank,drug,C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1,DRUG_5850
5851,5851,5851,5851,5851,5851,5851,5851,DB03951,N-acetyl-D-glucosamine-6-phosphate,DrugBank,drug,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,DRUG_5851
5852,5852,5852,5852,5852,5852,5852,5852,DB00696,Ergotamine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O,DRUG_5852
5853,5853,5853,5853,5853,5853,5853,5853,DB01066,Cefditoren,DrugBank,drug,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_5853
5854,5854,5854,5854,5854,5854,5854,5854,DB07310,"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one",DrugBank,drug,C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1,DRUG_5854
5855,5855,5855,5855,5855,5855,5855,5855,DB06288,Amisulpride,DrugBank,drug,CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC,DRUG_5855
5856,5856,5856,5856,5856,5856,5856,5856,DB05262,Oxypurinol,DrugBank,drug,O=C1NC2=C(C=NN2)C(=O)N1,DRUG_5856
5857,5857,5857,5857,5857,5857,5857,5857,DB08097,"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE",DrugBank,drug,CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12,DRUG_5857
5858,5858,5858,5858,5858,5858,5858,5858,DB13218,Mandelic acid,DrugBank,drug,OC(C(O)=O)C1=CC=CC=C1,DRUG_5858
5859,5859,5859,5859,5859,5859,5859,5859,DB00319,Piperacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O,DRUG_5859
5860,5860,5860,5860,5860,5860,5860,5860,DB15057,Fosgemcitabine palabenamide,DrugBank,drug,CC(NP(=O)(OCC1OC(N2C=CC(N)=NC2=O)C(F)(F)C1O)OC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,DRUG_5860
5861,5861,5861,5861,5861,5861,5861,5861,DB00997,Doxorubicin,DrugBank,drug,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,DRUG_5861
5862,5862,5862,5862,5862,5862,5862,5862,DB06248,Amelubant,DrugBank,drug,CCOC(=O)NC(=N)C1=CC=C(OCC2=CC=CC(COC3=CC=C(C=C3)C(C)(C)C3=CC=C(O)C=C3)=C2)C=C1,DRUG_5862
5863,5863,5863,5863,5863,5863,5863,5863,DB00246,Ziprasidone,DrugBank,drug,ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1,DRUG_5863
5864,5864,5864,5864,5864,5864,5864,5864,DB12289,Darexaban,DrugBank,drug,COC1=CC=C(C=C1)C(=O)NC1=C(NC(=O)C2=CC=C(C=C2)N2CCCN(C)CC2)C(O)=CC=C1,DRUG_5864
5865,5865,5865,5865,5865,5865,5865,5865,DB01112,Cefuroxime,DrugBank,drug,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O,DRUG_5865
5866,5866,5866,5866,5866,5866,5866,5866,DB06454,Sarizotan,DrugBank,drug,FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1,DRUG_5866
5867,5867,5867,5867,5867,5867,5867,5867,DB00474,Methohexital,DrugBank,drug,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,DRUG_5867
5868,5868,5868,5868,5868,5868,5868,5868,DB00757,Dolasetron,DrugBank,drug,[H][C@@]1(C[C@@]2([H])C[C@]3([H])C[C@@]([H])(C1)N2CC3=O)OC(=O)C1=CNC2=C1C=CC=C2,DRUG_5868
5869,5869,5869,5869,5869,5869,5869,5869,DB11951,Lemborexant,DrugBank,drug,CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1,DRUG_5869
5870,5870,5870,5870,5870,5870,5870,5870,DB07311,"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE",DrugBank,drug,ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1,DRUG_5870
5871,5871,5871,5871,5871,5871,5871,5871,DB06882,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea,DrugBank,drug,CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1,DRUG_5871
5872,5872,5872,5872,5872,5872,5872,5872,DB08888,Ocriplasmin,DrugBank,drug,,DRUG_5872
5873,5873,5873,5873,5873,5873,5873,5873,DB01285,Corticotropin,DrugBank,drug,,DRUG_5873
5874,5874,5874,5874,5874,5874,5874,5874,DB17197,AMG-900,DrugBank,drug,CC1=CSC(=C1)C1=NN=C(NC2=CC=C(OC3=NC=CC=C3C3=NC(N)=NC=C3)C=C2)C2=C1C=CC=C2,DRUG_5874
5875,5875,5875,5875,5875,5875,5875,5875,DB10805,Yellow fever vaccine,DrugBank,drug,,DRUG_5875
5876,5876,5876,5876,5876,5876,5876,5876,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",DrugBank,drug,CN1C2=C(C(Br)=C1C(=O)NCCO)C1=C(C(=O)NC1=O)C(=C2)C1=C(Cl)C=CC=C1,DRUG_5876
5877,5877,5877,5877,5877,5877,5877,5877,DB11730,Ribociclib,DrugBank,drug,CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1,DRUG_5877
5878,5878,5878,5878,5878,5878,5878,5878,DB03693,N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide,DrugBank,drug,NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2,DRUG_5878
5879,5879,5879,5879,5879,5879,5879,5879,DB13113,JNJ-38877605,DrugBank,drug,CN1C=C(C=N1)C1=NN2C(C=C1)=NN=C2C(F)(F)C1=CC=C2N=CC=CC2=C1,DRUG_5879
5880,5880,5880,5880,5880,5880,5880,5880,DB13468,Etybenzatropine,DrugBank,drug,CCN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5880
5881,5881,5881,5881,5881,5881,5881,5881,DB02784,N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide,DrugBank,drug,[H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr,DRUG_5881
5882,5882,5882,5882,5882,5882,5882,5882,DB13866,Etynodiol,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](O)C=C3CC[C@@]21[H],DRUG_5882
5883,5883,5883,5883,5883,5883,5883,5883,DB00852,Pseudoephedrine,DrugBank,drug,CN[C@@H](C)[C@@H](O)C1=CC=CC=C1,DRUG_5883
5884,5884,5884,5884,5884,5884,5884,5884,DB07108,"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1,DRUG_5884
5885,5885,5885,5885,5885,5885,5885,5885,DB08819,Tafluprost,DrugBank,drug,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,DRUG_5885
5886,5886,5886,5886,5886,5886,5886,5886,DB06794,Lodoxamide,DrugBank,drug,OC(=O)C(=O)NC1=CC(=CC(NC(=O)C(O)=O)=C1Cl)C#N,DRUG_5886
5887,5887,5887,5887,5887,5887,5887,5887,DB04145,Nicotinyl alcohol,DrugBank,drug,OCC1=CC=CN=C1,DRUG_5887
5888,5888,5888,5888,5888,5888,5888,5888,DB03974,L-homoarginine,DrugBank,drug,N[C@@H](CCCCNC(N)=N)C(O)=O,DRUG_5888
5889,5889,5889,5889,5889,5889,5889,5889,DB07203,6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE,DrugBank,drug,ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1,DRUG_5889
5890,5890,5890,5890,5890,5890,5890,5890,DB00829,Diazepam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,DRUG_5890
5891,5891,5891,5891,5891,5891,5891,5891,DB00344,Protriptyline,DrugBank,drug,CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12,DRUG_5891
5892,5892,5892,5892,5892,5892,5892,5892,DB02462,Thiocoumarin,DrugBank,drug,CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12,DRUG_5892
5893,5893,5893,5893,5893,5893,5893,5893,DB07692,"1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine",DrugBank,drug,FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,DRUG_5893
5894,5894,5894,5894,5894,5894,5894,5894,DB14824,Icrucumab,DrugBank,drug,,DRUG_5894
5895,5895,5895,5895,5895,5895,5895,5895,DB16652,Avotaciclib,DrugBank,drug,NC1=NC=CC(=N1)C1=NC(=C(O)C=C1)C1=NC(N)=NC=C1,DRUG_5895
5896,5896,5896,5896,5896,5896,5896,5896,DB12359,BIIB021,DrugBank,drug,COC1=C(C)C=NC(CN2C=NC3=C(Cl)N=C(N)N=C23)=C1C,DRUG_5896
5897,5897,5897,5897,5897,5897,5897,5897,DB05139,CR002,DrugBank,drug,,DRUG_5897
5898,5898,5898,5898,5898,5898,5898,5898,DB19372,Zoxazolamine,DrugBank,drug,NC1=NC2=CC(Cl)=CC=C2O1,DRUG_5898
5899,5899,5899,5899,5899,5899,5899,5899,DB06149,Teicoplanin,DrugBank,drug,CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC1=C2OC3=C(Cl)C=C(C=C3)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](CC6=CC=C(OC1=CC4=C2)C(Cl)=C6)NC(=O)[C@H](N)C1=CC=C(O)C(OC2=CC(O)=CC5=C2)=C1)C1=CC=C(O)C(=C1)C1=C(C=C(O)C=C1OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](NC3=O)C(O)=O,DRUG_5899
5900,5900,5900,5900,5900,5900,5900,5900,DB04534,5-Nitroindazole,DrugBank,drug,[O-][N+](=O)C1=CC=C2NN=CC2=C1,DRUG_5900
5901,5901,5901,5901,5901,5901,5901,5901,DB13025,Tiapride,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O,DRUG_5901
5902,5902,5902,5902,5902,5902,5902,5902,DB14042,Galcanezumab,DrugBank,drug,,DRUG_5902
5903,5903,5903,5903,5903,5903,5903,5903,DB14762,Risankizumab,DrugBank,drug,,DRUG_5903
5904,5904,5904,5904,5904,5904,5904,5904,DB02369,"3-Aza-2,3-Dihydrogeranyl Diphosphate",DrugBank,drug,CN(CCO[P@]([O-])(=O)OP([O-])([O-])=O)CCC=C(C)C,DRUG_5904
5905,5905,5905,5905,5905,5905,5905,5905,DB08964,Gemeprost,DrugBank,drug,CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC,DRUG_5905
5906,5906,5906,5906,5906,5906,5906,5906,DB15114,Vamorolone,DrugBank,drug,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,DRUG_5906
5907,5907,5907,5907,5907,5907,5907,5907,DB01421,Paromomycin,DrugBank,drug,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)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)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,DRUG_5907
5908,5908,5908,5908,5908,5908,5908,5908,DB08448,"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol",DrugBank,drug,[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1,DRUG_5908
5909,5909,5909,5909,5909,5909,5909,5909,DB13543,Mitobronitol,DrugBank,drug,[H][C@@](O)(CBr)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CBr,DRUG_5909
5910,5910,5910,5910,5910,5910,5910,5910,DB01827,"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide",DrugBank,drug,COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F,DRUG_5910
5911,5911,5911,5911,5911,5911,5911,5911,DB03043,"(S)-2-Amino-3-(6h-Selenolo[2,3-B]-Pyrrol-4-Yl)-Propionic Acid",DrugBank,drug,[H][C@](N)(CC1=CNC2=C1C=C[Se]2)C(O)=O,DRUG_5911
5912,5912,5912,5912,5912,5912,5912,5912,DB02328,2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid,DrugBank,drug,[H]\C(CP(O)(O)=O)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O,DRUG_5912
5913,5913,5913,5913,5913,5913,5913,5913,DB05738,Vapitadine,DrugBank,drug,NC(=O)C1=CN=C2N1CCC1=C(C=CC=C1)C21CCNCC1,DRUG_5913
5914,5914,5914,5914,5914,5914,5914,5914,DB01114,Chlorpheniramine,DrugBank,drug,CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,DRUG_5914
5915,5915,5915,5915,5915,5915,5915,5915,DB14512,Mometasone furoate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_5915
5916,5916,5916,5916,5916,5916,5916,5916,DB12410,Sabarubicin,DrugBank,drug,[H][C@]1(N)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])O)O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=CC=CC=C2C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O,DRUG_5916
5917,5917,5917,5917,5917,5917,5917,5917,DB14918,Branaplam,DrugBank,drug,CC1(C)CC(CC(C)(C)N1)OC1=NN=C(C=C1)C1=C(O)C=C(C=C1)C1=CNN=C1,DRUG_5917
5918,5918,5918,5918,5918,5918,5918,5918,DB16825,Itanapraced,DrugBank,drug,OC(=O)C1(CC1)C1=CC(F)=C(C=C1)C1=CC=C(Cl)C(Cl)=C1,DRUG_5918
5919,5919,5919,5919,5919,5919,5919,5919,DB06943,(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol,DrugBank,drug,[H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1,DRUG_5919
5920,5920,5920,5920,5920,5920,5920,5920,DB00155,Citrulline,DrugBank,drug,N[C@@H](CCCNC(N)=O)C(O)=O,DRUG_5920
5921,5921,5921,5921,5921,5921,5921,5921,DB12611,PF-477736,DrugBank,drug,CN1C=C(C=N1)C1=C2C=NNC(=O)C3=C2C(N1)=CC(NC(=O)[C@H](N)C1CCCCC1)=C3,DRUG_5921
5922,5922,5922,5922,5922,5922,5922,5922,DB03744,"Cp403700, (S)-1-{2-[(5-Chloro-1h-Indole-2-Carbonyl)-Amino]-3-Phenyl-Propionyl}-Azetidine-3-Carboxylate",DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2)C(=O)N1CC(C1)C(O)=O,DRUG_5922
5923,5923,5923,5923,5923,5923,5923,5923,DB04566,Inosinic Acid,DrugBank,drug,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,DRUG_5923
5924,5924,5924,5924,5924,5924,5924,5924,DB07976,3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID,DrugBank,drug,COC1=CC=CC(=C1)C1=CC=C(NC(=O)C2=C(SC=C2)C(O)=O)C(F)=C1,DRUG_5924
5925,5925,5925,5925,5925,5925,5925,5925,DB08052,PP-121,DrugBank,drug,NC1=NC=NC2=C1C(=NN2C1CCCC1)C1=CC2=C(NC=C2)N=C1,DRUG_5925
5926,5926,5926,5926,5926,5926,5926,5926,DB03555,CRA_11092,DrugBank,drug,[H][C@]1(C)CCCC[C@]1([H])OC1=CC=CC(C2=NC3=C(N2)C=C(F)C(=C3)C(N)=N)=C1O,DRUG_5926
5927,5927,5927,5927,5927,5927,5927,5927,DB00368,Norepinephrine,DrugBank,drug,NC[C@H](O)C1=CC(O)=C(O)C=C1,DRUG_5927
5928,5928,5928,5928,5928,5928,5928,5928,DB02555,SP4160,DrugBank,drug,CC(C)C[C@@H](N=C(N)N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=C(Cl)C(Cl)=C(OCC2=CC=C(NC(C)=O)C=C2)C=C1,DRUG_5928
5929,5929,5929,5929,5929,5929,5929,5929,DB01230,Pemoline,DrugBank,drug,NC1=NC(=O)C(O1)C1=CC=CC=C1,DRUG_5929
5930,5930,5930,5930,5930,5930,5930,5930,DB07809,4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE,DrugBank,drug,CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1,DRUG_5930
5931,5931,5931,5931,5931,5931,5931,5931,DB02471,Nojirimycine Tetrazole,DrugBank,drug,[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,DRUG_5931
5932,5932,5932,5932,5932,5932,5932,5932,DB07881,N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE,DrugBank,drug,[H][C@](CC1=CC=CC=C1)(NC(=O)CCCC(O)=O)[P@](O)(=O)OCC(=O)NCCC1=CC=CC=C1,DRUG_5932
5933,5933,5933,5933,5933,5933,5933,5933,DB00745,Modafinil,DrugBank,drug,NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_5933
5934,5934,5934,5934,5934,5934,5934,5934,DB00697,Tizanidine,DrugBank,drug,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1,DRUG_5934
5935,5935,5935,5935,5935,5935,5935,5935,DB09211,Limaprost,DrugBank,drug,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,DRUG_5935
5936,5936,5936,5936,5936,5936,5936,5936,DB00725,Homatropine methylbromide,DrugBank,drug,[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1,DRUG_5936
5937,5937,5937,5937,5937,5937,5937,5937,DB14733,Ceftobiprole medocaril,DrugBank,drug,[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C(O)=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCN(C1)C(=O)OCC1=C(C)OC(=O)O1,DRUG_5937
5938,5938,5938,5938,5938,5938,5938,5938,DB00661,Verapamil,DrugBank,drug,COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,DRUG_5938
5939,5939,5939,5939,5939,5939,5939,5939,DB03166,Acetic acid,DrugBank,drug,CC(O)=O,DRUG_5939
5940,5940,5940,5940,5940,5940,5940,5940,DB05939,MK-0354,DrugBank,drug,C1CC2=C(C1)C(=NN2)C1=NNN=N1,DRUG_5940
5941,5941,5941,5941,5941,5941,5941,5941,DB07624,"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide",DrugBank,drug,[H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,DRUG_5941
5942,5942,5942,5942,5942,5942,5942,5942,DB07772,"(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",DrugBank,drug,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O,DRUG_5942
5943,5943,5943,5943,5943,5943,5943,5943,DB05394,Corticorelin,DrugBank,drug,,DRUG_5943
5944,5944,5944,5944,5944,5944,5944,5944,DB03861,"(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine",DrugBank,drug,[H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O,DRUG_5944
5945,5945,5945,5945,5945,5945,5945,5945,DB11448,Phosmet,DrugBank,drug,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,DRUG_5945
5946,5946,5946,5946,5946,5946,5946,5946,DB09301,Chondroitin sulfate,DrugBank,drug,,DRUG_5946
5947,5947,5947,5947,5947,5947,5947,5947,DB05533,QR-333,DrugBank,drug,,DRUG_5947
5948,5948,5948,5948,5948,5948,5948,5948,DB08368,"OCTANE-1,3,5,7-TETRACARBOXYLIC ACID",DrugBank,drug,[H][C@](C)(C[C@]([H])(C[C@@]([H])(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O,DRUG_5948
5949,5949,5949,5949,5949,5949,5949,5949,DB00765,Metyrosine,DrugBank,drug,C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O,DRUG_5949
5950,5950,5950,5950,5950,5950,5950,5950,DB00861,Diflunisal,DrugBank,drug,OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1,DRUG_5950
5951,5951,5951,5951,5951,5951,5951,5951,DB16160,Tolinapant,DrugBank,drug,C[C@@H]1CN(CC(=O)N2CC(C)(C)C3=C2C=C(CC2=CC=C(F)C=C2)C(CO)=N3)[C@@H](CN2CCOC[C@H]2C)CN1,DRUG_5951
5952,5952,5952,5952,5952,5952,5952,5952,DB04268,Methylumbelliferyl chitotriose,DrugBank,drug,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](OC4=CC5=C(C=C4)C(C)=CC(=O)O5)[C@H](N([H])C(C)=O)[C@H]3O)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,DRUG_5952
5953,5953,5953,5953,5953,5953,5953,5953,DB04871,Lorcaserin,DrugBank,drug,C[C@H]1CNCCC2=CC=C(Cl)C=C12,DRUG_5953
5954,5954,5954,5954,5954,5954,5954,5954,DB12775,Abituzumab,DrugBank,drug,,DRUG_5954
5955,5955,5955,5955,5955,5955,5955,5955,DB07268,2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE,DrugBank,drug,NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1,DRUG_5955
5956,5956,5956,5956,5956,5956,5956,5956,DB08908,Dimethyl fumarate,DrugBank,drug,[H]\C(=C(\[H])C(=O)OC)C(=O)OC,DRUG_5956
5957,5957,5957,5957,5957,5957,5957,5957,DB11658,QAV-680,DrugBank,drug,CC1=C(CC(O)=O)C2=CC=CN=C2N1CC1=CC=C(C=C1)S(C)(=O)=O,DRUG_5957
5958,5958,5958,5958,5958,5958,5958,5958,DB07754,DCFBC,DrugBank,drug,OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O,DRUG_5958
5959,5959,5959,5959,5959,5959,5959,5959,DB07051,"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER",DrugBank,drug,CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1,DRUG_5959
5960,5960,5960,5960,5960,5960,5960,5960,DB01950,AR-AO-14418,DrugBank,drug,COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1,DRUG_5960
5961,5961,5961,5961,5961,5961,5961,5961,DB13035,AG-24322,DrugBank,drug,CCNCC1=CN=CC(=C1C)C1=CC=C2NN=C(C3=NC4=C(F)C=C(F)C=C4N3)C2=C1,DRUG_5961
5962,5962,5962,5962,5962,5962,5962,5962,DB11300,Thrombin,DrugBank,drug,,DRUG_5962
5963,5963,5963,5963,5963,5963,5963,5963,DB08602,"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one",DrugBank,drug,CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F,DRUG_5963
5964,5964,5964,5964,5964,5964,5964,5964,DB16379,Garetosmab,DrugBank,drug,,DRUG_5964
5965,5965,5965,5965,5965,5965,5965,5965,DB00217,Bethanidine,DrugBank,drug,CN\C(NCC1=CC=CC=C1)=N/C,DRUG_5965
5966,5966,5966,5966,5966,5966,5966,5966,DB07101,Mirdametinib,DrugBank,drug,[H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,DRUG_5966
5967,5967,5967,5967,5967,5967,5967,5967,DB02998,Metribolone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_5967
5968,5968,5968,5968,5968,5968,5968,5968,DB07685,"4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1,DRUG_5968
5969,5969,5969,5969,5969,5969,5969,5969,DB08312,"6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE",DrugBank,drug,NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1,DRUG_5969
5970,5970,5970,5970,5970,5970,5970,5970,DB04626,Apramycin,DrugBank,drug,CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](N)[C@H](O)[C@H]1O,DRUG_5970
5971,5971,5971,5971,5971,5971,5971,5971,DB05767,Andrographolide,DrugBank,drug,[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO,DRUG_5971
5972,5972,5972,5972,5972,5972,5972,5972,DB04771,1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE,DrugBank,drug,CC(C)C[C@H](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,DRUG_5972
5973,5973,5973,5973,5973,5973,5973,5973,DB04997,ATL1102,DrugBank,drug,,DRUG_5973
5974,5974,5974,5974,5974,5974,5974,5974,DB05032,REV131,DrugBank,drug,,DRUG_5974
5975,5975,5975,5975,5975,5975,5975,5975,DB12280,AZD-5423,DrugBank,drug,COC1=CC(=CC=C1)[C@@H](OC1=CC=C2N(N=CC2=C1)C1=CC=C(F)C=C1)[C@H](C)NC(=O)C(F)(F)F,DRUG_5975
5976,5976,5976,5976,5976,5976,5976,5976,DB01077,Etidronic acid,DrugBank,drug,CC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_5976
5977,5977,5977,5977,5977,5977,5977,5977,DB12185,Exatecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(F)C(C)=C4CC[C@H](N)C3=C14)C2=O,DRUG_5977
5978,5978,5978,5978,5978,5978,5978,5978,DB12914,Resmetirom,DrugBank,drug,CC(C)C1=CC(OC2=C(Cl)C=C(C=C2Cl)N2N=C(C#N)C(=O)NC2=O)=NNC1=O,DRUG_5978
5979,5979,5979,5979,5979,5979,5979,5979,DB14017,H3B-8800,DrugBank,drug,C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C1=CC=CC=N1,DRUG_5979
5980,5980,5980,5980,5980,5980,5980,5980,DB08049,"7,8-dihydroxy-4-phenyl-2H-chromen-2-one",DrugBank,drug,OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O,DRUG_5980
5981,5981,5981,5981,5981,5981,5981,5981,DB17506,Etrumadenant,DrugBank,drug,CC1=C(C=CC=C1C#N)C1=NC(N)=NC(=C1)C1=CN(CC2=NC(=CC=C2)C(C)(C)O)N=N1,DRUG_5981
5982,5982,5982,5982,5982,5982,5982,5982,DB07226,"N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE",DrugBank,drug,ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O,DRUG_5982
5983,5983,5983,5983,5983,5983,5983,5983,DB13371,Difenpiramide,DrugBank,drug,O=C(CC1=CC=C(C=C1)C1=CC=CC=C1)NC1=CC=CC=N1,DRUG_5983
5984,5984,5984,5984,5984,5984,5984,5984,DB04269,Cyclotheonamide A,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CNC(=O)\C=C\[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C(=O)[C@H](CCCNC(N)=N)NC2=O)NC=O,DRUG_5984
5985,5985,5985,5985,5985,5985,5985,5985,DB16662,Efanesoctocog alfa,DrugBank,drug,,DRUG_5985
5986,5986,5986,5986,5986,5986,5986,5986,DB11131,Capsicum oleoresin,DrugBank,drug,,DRUG_5986
5987,5987,5987,5987,5987,5987,5987,5987,DB03245,S-4-Nitrobutyryl-CoA,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_5987
5988,5988,5988,5988,5988,5988,5988,5988,DB00249,Idoxuridine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O,DRUG_5988
5989,5989,5989,5989,5989,5989,5989,5989,DB08991,Epirizole,DrugBank,drug,COC1=CC(C)=NN1C1=NC(C)=CC(OC)=N1,DRUG_5989
5990,5990,5990,5990,5990,5990,5990,5990,DB11312,Protein C,DrugBank,drug,,DRUG_5990
5991,5991,5991,5991,5991,5991,5991,5991,DB07949,"({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid",DrugBank,drug,OC(=O)CO\N=C1/C2=CC=CCC2=N/C/1=C1\C(=O)N=C2CC=CC=C12,DRUG_5991
5992,5992,5992,5992,5992,5992,5992,5992,DB03328,Dioxo(sulfanyl)molybdenum,DrugBank,drug,S[Mo](=O)=O,DRUG_5992
5993,5993,5993,5993,5993,5993,5993,5993,DB11774,Pazufloxacin,DrugBank,drug,[H][C@]1(C)COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2C1(N)CC1,DRUG_5993
5994,5994,5994,5994,5994,5994,5994,5994,DB16335,Sulopenem etzadroxil,DrugBank,drug,[H][C@]12SC(S[C@H]3CC[S@@+]([O-])C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCOC(=O)C(CC)CC,DRUG_5994
5995,5995,5995,5995,5995,5995,5995,5995,DB04772,1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE,DrugBank,drug,CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,DRUG_5995
5996,5996,5996,5996,5996,5996,5996,5996,DB01800,4-Nitrocatechol sulfate,DrugBank,drug,OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O,DRUG_5996
5997,5997,5997,5997,5997,5997,5997,5997,DB05029,Lancovutide,DrugBank,drug,CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]3CNCCCC[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CS[C@H]4C)C(=O)N[C@@H](CS[C@H]2C)C(=O)N3)NC1=O)[C@@H](O)C(O)=O)C(O)=O,DRUG_5997
5998,5998,5998,5998,5998,5998,5998,5998,DB13244,Aminomethylbenzoic acid,DrugBank,drug,NCC1=CC=C(C=C1)C(O)=O,DRUG_5998
5999,5999,5999,5999,5999,5999,5999,5999,DB12588,AZD-1480,DrugBank,drug,C[C@H](NC1=NC=C(Cl)C(NC2=NNC(C)=C2)=N1)C1=NC=C(F)C=N1,DRUG_5999
6000,6000,6000,6000,6000,6000,6000,6000,DB03757,N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alaninamide,DrugBank,drug,[H]N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](C)N([H])C(=O)OC(C)(C)C,DRUG_6000
6001,6001,6001,6001,6001,6001,6001,6001,DB11742,Ebastine,DrugBank,drug,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6001
6002,6002,6002,6002,6002,6002,6002,6002,DB04141,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol",DrugBank,drug,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,DRUG_6002
6003,6003,6003,6003,6003,6003,6003,6003,DB03709,Bicine,DrugBank,drug,OCCN(CCO)CC(O)=O,DRUG_6003
6004,6004,6004,6004,6004,6004,6004,6004,DB05459,Briakinumab,DrugBank,drug,,DRUG_6004
6005,6005,6005,6005,6005,6005,6005,6005,DB15067,Volanesorsen,DrugBank,drug,,DRUG_6005
6006,6006,6006,6006,6006,6006,6006,6006,DB08918,Levomilnacipran,DrugBank,drug,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1,DRUG_6006
6007,6007,6007,6007,6007,6007,6007,6007,DB19023,Chiglitazar,DrugBank,drug,OC(=O)[C@H](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)NC1=CC=CC=C1C(=O)C1=CC=C(F)C=C1,DRUG_6007
6008,6008,6008,6008,6008,6008,6008,6008,DB10714,Phalaris arundinacea pollen,DrugBank,drug,,DRUG_6008
6009,6009,6009,6009,6009,6009,6009,6009,DB12265,Fexinidazole,DrugBank,drug,CSC1=CC=C(OCC2=NC=C(N2C)[N+]([O-])=O)C=C1,DRUG_6009
6010,6010,6010,6010,6010,6010,6010,6010,DB01015,Sulfamethoxazole,DrugBank,drug,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1,DRUG_6010
6011,6011,6011,6011,6011,6011,6011,6011,DB06626,Axitinib,DrugBank,drug,CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1,DRUG_6011
6012,6012,6012,6012,6012,6012,6012,6012,DB05202,Egaptivon pegol,DrugBank,drug,,DRUG_6012
6013,6013,6013,6013,6013,6013,6013,6013,DB03397,Uridine-Diphosphate-N-Acetylglucosamine,DrugBank,drug,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,DRUG_6013
6014,6014,6014,6014,6014,6014,6014,6014,DB01543,18-methyl-19-nortestosterone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_6014
6015,6015,6015,6015,6015,6015,6015,6015,DB07196,N-methyl-1-(2-thiophen-2-ylphenyl)methanamine,DrugBank,drug,CNCC1=CC=CC=C1C1=CC=CS1,DRUG_6015
6016,6016,6016,6016,6016,6016,6016,6016,DB07627,(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE,DrugBank,drug,[H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1,DRUG_6016
6017,6017,6017,6017,6017,6017,6017,6017,DB02719,C-(1-hydrogyl-beta-D-glucopyranosyl) formamide,DrugBank,drug,[H]N([H])C(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_6017
6018,6018,6018,6018,6018,6018,6018,6018,DB01929,"5-Chloryl-2,4,6-quinazolinetriamine",DrugBank,drug,,DRUG_6018
6019,6019,6019,6019,6019,6019,6019,6019,DB06702,Fesoterodine,DrugBank,drug,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C,DRUG_6019
6020,6020,6020,6020,6020,6020,6020,6020,DB11949,Vestipitant,DrugBank,drug,C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_6020
6021,6021,6021,6021,6021,6021,6021,6021,DB05013,Ingenol mebutate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C,DRUG_6021
6022,6022,6022,6022,6022,6022,6022,6022,DB00769,Hydrocortamate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_6022
6023,6023,6023,6023,6023,6023,6023,6023,DB13488,Bencyclane,DrugBank,drug,CN(C)CCCOC1(CC2=CC=CC=C2)CCCCCC1,DRUG_6023
6024,6024,6024,6024,6024,6024,6024,6024,DB04817,Metamizole,DrugBank,drug,CN(CS(O)(=O)=O)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,DRUG_6024
6025,6025,6025,6025,6025,6025,6025,6025,DB04950,Ranpirnase,DrugBank,drug,,DRUG_6025
6026,6026,6026,6026,6026,6026,6026,6026,DB04974,Rimiducid,DrugBank,drug,CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC(OCC(=O)NCCNC(=O)COC2=CC=CC(=C2)[C@@H](CCC2=CC=C(OC)C(OC)=C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1)C1=CC(OC)=C(OC)C(OC)=C1,DRUG_6026
6027,6027,6027,6027,6027,6027,6027,6027,DB13142,Calcium glubionate anhydrous,DrugBank,drug,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,DRUG_6027
6028,6028,6028,6028,6028,6028,6028,6028,DB00448,Lansoprazole,DrugBank,drug,CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1,DRUG_6028
6029,6029,6029,6029,6029,6029,6029,6029,DB07068,"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID",DrugBank,drug,CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC,DRUG_6029
6030,6030,6030,6030,6030,6030,6030,6030,DB08507,N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID,DrugBank,drug,[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO,DRUG_6030
6031,6031,6031,6031,6031,6031,6031,6031,DB05351,Dexlansoprazole,DrugBank,drug,CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1,DRUG_6031
6032,6032,6032,6032,6032,6032,6032,6032,DB02911,"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine",DrugBank,drug,[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1,DRUG_6032
6033,6033,6033,6033,6033,6033,6033,6033,DB09292,Sacubitril,DrugBank,drug,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O,DRUG_6033
6034,6034,6034,6034,6034,6034,6034,6034,DB07626,"4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",DrugBank,drug,CCOC1=C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)C=C(C=C1Cl)N1CCCCC1,DRUG_6034
6035,6035,6035,6035,6035,6035,6035,6035,DB12789,Dinoprost,DrugBank,drug,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,DRUG_6035
6036,6036,6036,6036,6036,6036,6036,6036,DB13651,Lorajmine,DrugBank,drug,CC[C@@H]1[C@@H](O)N2[C@H]3C[C@]45[C@H](OC(=O)CCl)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)C1=CC=CC=C51,DRUG_6036
6037,6037,6037,6037,6037,6037,6037,6037,DB07778,(S)-famoxadone,DrugBank,drug,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_6037
6038,6038,6038,6038,6038,6038,6038,6038,DB01395,Drospirenone,DrugBank,drug,[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21,DRUG_6038
6039,6039,6039,6039,6039,6039,6039,6039,DB13136,Fluindione,DrugBank,drug,FC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,DRUG_6039
6040,6040,6040,6040,6040,6040,6040,6040,DB08322,"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID",DrugBank,drug,[H][C@@](CC(O)=O)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@]([H])(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,DRUG_6040
6041,6041,6041,6041,6041,6041,6041,6041,DB04044,4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid,DrugBank,drug,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC=C2)C=C1)C(O)=O,DRUG_6041
6042,6042,6042,6042,6042,6042,6042,6042,DB18019,Erbumine,DrugBank,drug,C[C@@H]1C[C@@](CC2=NC(NC3=NNC(C)=C3)=CC=C2F)(CCN1CC1=CC=CC(Cl)=C1F)C(O)=O,DRUG_6042
6043,6043,6043,6043,6043,6043,6043,6043,DB12107,Vaborbactam,DrugBank,drug,OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)CC1=CC=CS1,DRUG_6043
6044,6044,6044,6044,6044,6044,6044,6044,DB09372,Tannic acid,DrugBank,drug,OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C(O)=CC(=C1)C(=O)OC[C@H]1OC(OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H](OC(=O)C2=CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C(O)C(O)=C1,DRUG_6044
6045,6045,6045,6045,6045,6045,6045,6045,DB11556,Detomidine,DrugBank,drug,CC1=C(C)C(CC2=CN=CN2)=CC=C1,DRUG_6045
6046,6046,6046,6046,6046,6046,6046,6046,DB09307,Oxaprotiline,DrugBank,drug,CNCC(O)CC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,DRUG_6046
6047,6047,6047,6047,6047,6047,6047,6047,DB02093,5-phospho-D-arabinohydroxamic acid,DrugBank,drug,[H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_6047
6048,6048,6048,6048,6048,6048,6048,6048,DB06612,Mepolizumab,DrugBank,drug,,DRUG_6048
6049,6049,6049,6049,6049,6049,6049,6049,DB05874,AEOL-10150,DrugBank,drug,[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3].CCN1C=C[N+](CC)=C1\C1=C2/C=CC(=N2)\C(=C2/[N-]\C(\C=C2)=C(/C2=N/C(/C=C2)=C(\C2=CC=C1[N-]2)C1=[N+](CC)C=CN1CC)C1=[N+](CC)C=CN1CC)\C1=[N+](CC)C=CN1CC,DRUG_6049
6050,6050,6050,6050,6050,6050,6050,6050,DB16095,APG-1387,DrugBank,drug,[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)S(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N1CC[C@@]2([H])CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)[C@H](C)NC)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6050
6051,6051,6051,6051,6051,6051,6051,6051,DB04017,Clorgiline,DrugBank,drug,CN(CCCOC1=C(Cl)C=C(Cl)C=C1)CC#C,DRUG_6051
6052,6052,6052,6052,6052,6052,6052,6052,DB11411,Fenprostalene,DrugBank,drug,COC(=O)CCC=C=CC[C@@H]1[C@H](O)C[C@H](O)[C@H]1\C=C\[C@H](O)COC1=CC=CC=C1,DRUG_6052
6053,6053,6053,6053,6053,6053,6053,6053,DB15822,Pralsetinib,DrugBank,drug,CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1,DRUG_6053
6054,6054,6054,6054,6054,6054,6054,6054,DB08903,Bedaquiline,DrugBank,drug,COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2,DRUG_6054
6055,6055,6055,6055,6055,6055,6055,6055,DB01941,LG-100268,DrugBank,drug,CC1=C(C=C2C(=C1)C(C)(C)CCC2(C)C)C1(CC1)C1=CC=C(C=N1)C(O)=O,DRUG_6055
6056,6056,6056,6056,6056,6056,6056,6056,DB02039,S-Acetyl-Cysteine,DrugBank,drug,[H][C@](N)(CSC(C)=O)C(O)=O,DRUG_6056
6057,6057,6057,6057,6057,6057,6057,6057,DB03612,3-Hydroxybutyryl-Coenzyme A,DrugBank,drug,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]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_6057
6058,6058,6058,6058,6058,6058,6058,6058,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",DrugBank,drug,C[C@@H](NC(=O)CC1=C(Cl)C=C\C(=N/CC(F)(F)C2=CC=CC=[N+]2[O-])N1O)C1=CC(Cl)=CC=C1,DRUG_6058
6059,6059,6059,6059,6059,6059,6059,6059,DB05970,LY-2599506,DrugBank,drug,O=C(NC1=CN=CC=N1)[C@H](CC1CCOCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1,DRUG_6059
6060,6060,6060,6060,6060,6060,6060,6060,DB01046,Lubiprostone,DrugBank,drug,[H][C@@]12CC(=O)[C@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC,DRUG_6060
6061,6061,6061,6061,6061,6061,6061,6061,DB06660,Saredutant,DrugBank,drug,CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1)C(=O)C1=CC=CC=C1,DRUG_6061
6062,6062,6062,6062,6062,6062,6062,6062,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)]",DrugBank,drug,OCC(=O)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,DRUG_6062
6063,6063,6063,6063,6063,6063,6063,6063,DB01225,Enoxaparin,DrugBank,drug,,DRUG_6063
6064,6064,6064,6064,6064,6064,6064,6064,DB13467,Lanatoside C,DrugBank,drug,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])C[C@@]([H])(O)[C@]12C)O[C@@]1([H])C[C@]([H])(O)[C@]([H])(O[C@@]2([H])C[C@]([H])(O)[C@]([H])(O[C@@]3([H])C[C@]([H])(OC(C)=O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@@]([H])(C)O3)[C@@]([H])(C)O2)[C@@]([H])(C)O1)C1=CC(=O)OC1,DRUG_6064
6065,6065,6065,6065,6065,6065,6065,6065,DB09236,Lacidipine,DrugBank,drug,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC,DRUG_6065
6066,6066,6066,6066,6066,6066,6066,6066,DB06089,ICA-105665,DrugBank,drug,,DRUG_6066
6067,6067,6067,6067,6067,6067,6067,6067,DB12651,Bardoxolone,DrugBank,drug,CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O,DRUG_6067
6068,6068,6068,6068,6068,6068,6068,6068,DB01130,Prednicarbate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_6068
6069,6069,6069,6069,6069,6069,6069,6069,DB03760,Dihydrolipoic Acid,DrugBank,drug,[H][C@](S)(CCS)CCCCC(O)=O,DRUG_6069
6070,6070,6070,6070,6070,6070,6070,6070,DB01108,Trilostane,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N,DRUG_6070
6071,6071,6071,6071,6071,6071,6071,6071,DB18041,Bezuclastinib,DrugBank,drug,CC1=C(C)C(=NN1)C(=O)NC1=CN=C2NC(=CC2=C1)C1=CC=CC=C1,DRUG_6071
6072,6072,6072,6072,6072,6072,6072,6072,DB18759,APD-209,DrugBank,drug,[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OCCCCCNC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC)C(O)=O)[C@H](O)[C@H](O)CO,DRUG_6072
6073,6073,6073,6073,6073,6073,6073,6073,DB09181,Trefentanil,DrugBank,drug,CCN1N=NN(CCN2CCC(CC2)(N(C(=O)CC)C2=CC=CC=C2F)C2=CC=CC=C2)C1=O,DRUG_6073
6074,6074,6074,6074,6074,6074,6074,6074,DB15310,Vactosertib,DrugBank,drug,CC1=NC(=CC=C1)C1=C(N=C(CNC2=C(F)C=CC=C2)N1)C1=CN2N=CN=C2C=C1,DRUG_6074
6075,6075,6075,6075,6075,6075,6075,6075,DB01009,Ketoprofen,DrugBank,drug,CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,DRUG_6075
6076,6076,6076,6076,6076,6076,6076,6076,DB09119,Eslicarbazepine acetate,DrugBank,drug,CC(=O)O[C@H]1CC2=CC=CC=C2N(C(N)=O)C2=CC=CC=C12,DRUG_6076
6077,6077,6077,6077,6077,6077,6077,6077,DB07491,"5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid",DrugBank,drug,NC1=C(Br)C(C(O)=O)=C(Br)C(C(O)=O)=C1Br,DRUG_6077
6078,6078,6078,6078,6078,6078,6078,6078,DB02921,(South)-Methanocarba-Thymidine,DrugBank,drug,CC1=CN(C(=O)NC1=O)[C@]12C[C@H]1[C@H](CO)[C@@H](O)C2,DRUG_6078
6079,6079,6079,6079,6079,6079,6079,6079,DB09289,Tianeptine,DrugBank,drug,CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O,DRUG_6079
6080,6080,6080,6080,6080,6080,6080,6080,DB00252,Phenytoin,DrugBank,drug,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6080
6081,6081,6081,6081,6081,6081,6081,6081,DB00513,Aminocaproic acid,DrugBank,drug,NCCCCCC(O)=O,DRUG_6081
6082,6082,6082,6082,6082,6082,6082,6082,DB12275,Seviteronel,DrugBank,drug,CC(C)[C@@](O)(C1=CN=NN1)C1=CC=C2C=C(OC(F)F)C(OC(F)F)=CC2=C1,DRUG_6082
6083,6083,6083,6083,6083,6083,6083,6083,DB12498,Mogamulizumab,DrugBank,drug,,DRUG_6083
6084,6084,6084,6084,6084,6084,6084,6084,DB08435,"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid",DrugBank,drug,[H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC,DRUG_6084
6085,6085,6085,6085,6085,6085,6085,6085,DB16061,Samuraciclib,DrugBank,drug,CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)C=C(NCC3=CC=CC=C3)N2N=C1,DRUG_6085
6086,6086,6086,6086,6086,6086,6086,6086,DB04911,Oritavancin,DrugBank,drug,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(NCC5=CC=C(C=C5)C5=CC=C(Cl)C=C5)[C@@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,DRUG_6086
6087,6087,6087,6087,6087,6087,6087,6087,DB08395,2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE,DrugBank,drug,CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1,DRUG_6087
6088,6088,6088,6088,6088,6088,6088,6088,DB12128,Ulimorelin,DrugBank,drug,C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=CC=CC=C2O1,DRUG_6088
6089,6089,6089,6089,6089,6089,6089,6089,DB00170,Menadione,DrugBank,drug,CC1=CC(=O)C2=CC=CC=C2C1=O,DRUG_6089
6090,6090,6090,6090,6090,6090,6090,6090,DB02938,Heptanoic acid,DrugBank,drug,CCCCCCC(O)=O,DRUG_6090
6091,6091,6091,6091,6091,6091,6091,6091,DB13777,Prenalterol,DrugBank,drug,CC(C)NC[C@H](O)COC1=CC=C(O)C=C1,DRUG_6091
6092,6092,6092,6092,6092,6092,6092,6092,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",DrugBank,drug,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@]([H])(CC1CC1)C1([H])N[C@]([H])(NO1)C1=C(F)C=C(C=C1)S(C)(=O)=O,DRUG_6092
6093,6093,6093,6093,6093,6093,6093,6093,DB05442,Etiprednol dicloacetate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)C(Cl)Cl)(C(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_6093
6094,6094,6094,6094,6094,6094,6094,6094,DB08413,METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER,DrugBank,drug,C[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_6094
6095,6095,6095,6095,6095,6095,6095,6095,DB00131,Adenosine phosphate,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_6095
6096,6096,6096,6096,6096,6096,6096,6096,DB15391,Elenbecestat,DrugBank,drug,C[C@H]1OC[C@@]2(N=C(N)SC[C@H]12)C1=CC(NC(=O)C2=NC=C(N=C2)C(F)F)=CC=C1F,DRUG_6096
6097,6097,6097,6097,6097,6097,6097,6097,DB12313,Dopexamine,DrugBank,drug,OC1=C(O)C=C(CCNCCCCCCNCCC2=CC=CC=C2)C=C1,DRUG_6097
6098,6098,6098,6098,6098,6098,6098,6098,DB02548,D-glucitol 6-phosphate,DrugBank,drug,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,DRUG_6098
6099,6099,6099,6099,6099,6099,6099,6099,DB00751,Epinastine,DrugBank,drug,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21,DRUG_6099
6100,6100,6100,6100,6100,6100,6100,6100,DB02846,L-thioproline,DrugBank,drug,[H][C@]1(CSCN1)C(O)=O,DRUG_6100
6101,6101,6101,6101,6101,6101,6101,6101,DB03319,"(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate",DrugBank,drug,[H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O,DRUG_6101
6102,6102,6102,6102,6102,6102,6102,6102,DB05883,ABX-PTH,DrugBank,drug,,DRUG_6102
6103,6103,6103,6103,6103,6103,6103,6103,DB09361,Evans blue,DrugBank,drug,[Na+].[Na+].[Na+].[Na+].CC1=CC(=CC=C1\N=N\C1=C([O-])C2=C(C=C1)C(=CC(=C2N)S(O)(=O)=O)S([O-])(=O)=O)C1=CC=C(\N=N\C2=C([O-])C3=C(C=C2)C(=CC(=C3N)S(O)(=O)=O)S([O-])(=O)=O)C(C)=C1,DRUG_6103
6104,6104,6104,6104,6104,6104,6104,6104,DB11157,Anthralin,DrugBank,drug,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2,DRUG_6104
6105,6105,6105,6105,6105,6105,6105,6105,DB04790,"2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol",DrugBank,drug,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC(=CC=C1)C(N)=N,DRUG_6105
6106,6106,6106,6106,6106,6106,6106,6106,DB00669,Sumatriptan,DrugBank,drug,CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1,DRUG_6106
6107,6107,6107,6107,6107,6107,6107,6107,DB06343,Teprotumumab,DrugBank,drug,,DRUG_6107
6108,6108,6108,6108,6108,6108,6108,6108,DB07145,(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE,DrugBank,drug,[H][C@](C)(N1CC[C@](C)(C1=O)C1=CC=C(OCC2=CC(C)=NC3=CC=CC=C23)C=C1)C(=O)NO,DRUG_6108
6109,6109,6109,6109,6109,6109,6109,6109,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,DrugBank,drug,C\C(=C/S(=O)(=O)N[C@@]1([H])CCN([C@](C)([H])C(=O)N2CCOCC2)C1=O)C1=CC=C(Cl)S1,DRUG_6109
6110,6110,6110,6110,6110,6110,6110,6110,DB02868,Deacetoxyvinzolidine,DrugBank,drug,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)(C[C@@]22OC(=O)N(CCCl)C2=O)[C@@]13[H])[C@]1(C[C@H]2CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,DRUG_6110
6111,6111,6111,6111,6111,6111,6111,6111,DB00154,Dihomo-gamma-linolenic acid,DrugBank,drug,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,DRUG_6111
6112,6112,6112,6112,6112,6112,6112,6112,DB07336,4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL,DrugBank,drug,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1,DRUG_6112
6113,6113,6113,6113,6113,6113,6113,6113,DB05243,XL019,DrugBank,drug,,DRUG_6113
6114,6114,6114,6114,6114,6114,6114,6114,DB14028,Nordazepam,DrugBank,drug,ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1,DRUG_6114
6115,6115,6115,6115,6115,6115,6115,6115,DB11727,Endostar,DrugBank,drug,,DRUG_6115
6116,6116,6116,6116,6116,6116,6116,6116,DB13932,Voretigene neparvovec,DrugBank,drug,,DRUG_6116
6117,6117,6117,6117,6117,6117,6117,6117,DB14582,Patisiran,DrugBank,drug,,DRUG_6117
6118,6118,6118,6118,6118,6118,6118,6118,DB15382,SAR-125844,DrugBank,drug,FC1=CC=C(C=C1)C1=NN2C(SC3=CC=C4N=C(NC(=O)NCCN5CCOCC5)SC4=C3)=NN=C2C=C1,DRUG_6118
6119,6119,6119,6119,6119,6119,6119,6119,DB02429,4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=C(F)C=C1,DRUG_6119
6120,6120,6120,6120,6120,6120,6120,6120,DB01765,"(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid",DrugBank,drug,OC(=O)CC1=C2NC(=O)C3=CC=CC=C3N2C2=C1C=CC=C2,DRUG_6120
6121,6121,6121,6121,6121,6121,6121,6121,DB00644,Gonadorelin,DrugBank,drug,,DRUG_6121
6122,6122,6122,6122,6122,6122,6122,6122,DB08697,"4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",DrugBank,drug,CC1=CC(=CC(C)=C1OCCN)C(=O)NC1=CC(Cl)=CC(=C1)N1CCCCC1,DRUG_6122
6123,6123,6123,6123,6123,6123,6123,6123,DB04885,Cilansetron,DrugBank,drug,CC1=NC=CN1C[C@H]1CCC2=C(C3=CC=CC4=C3N2CCC4)C1=O,DRUG_6123
6124,6124,6124,6124,6124,6124,6124,6124,DB13816,Aspoxicillin,DrugBank,drug,CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C1=CC=C(O)C=C1,DRUG_6124
6125,6125,6125,6125,6125,6125,6125,6125,DB12946,DPCPX,DrugBank,drug,CCCN1C2=C(N=C(N2)C2CCCC2)C(=O)N(CCC)C1=O,DRUG_6125
6126,6126,6126,6126,6126,6126,6126,6126,DB01973,O-Benzylsulfonyl-Serine,DrugBank,drug,N[C@@H](COS(=O)(=O)CC1=CC=CC=C1)C(O)=O,DRUG_6126
6127,6127,6127,6127,6127,6127,6127,6127,DB00976,Telithromycin,DrugBank,drug,[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN1C=NC(=C1)C1=CC=CN=C1,DRUG_6127
6128,6128,6128,6128,6128,6128,6128,6128,DB03309,N-cyclohexyltaurine,DrugBank,drug,OS(=O)(=O)CCNC1CCCCC1,DRUG_6128
6129,6129,6129,6129,6129,6129,6129,6129,DB13649,Proquazone,DrugBank,drug,CC(C)N1C(=O)N=C(C2=CC=CC=C2)C2=CC=C(C)C=C12,DRUG_6129
6130,6130,6130,6130,6130,6130,6130,6130,DB18124,Fipaxalparant,DrugBank,drug,COC1=CC=C(C=C1OCCC1=CC=CC(C)=C1)C(=O)NC1(CC2=CC=CC=C2C1)C(O)=O,DRUG_6130
6131,6131,6131,6131,6131,6131,6131,6131,DB03587,Pyruvaldehyde,DrugBank,drug,CC(=O)C=O,DRUG_6131
6132,6132,6132,6132,6132,6132,6132,6132,DB01400,Neostigmine,DrugBank,drug,CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C,DRUG_6132
6133,6133,6133,6133,6133,6133,6133,6133,DB07159,Tamatinib,DrugBank,drug,COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC,DRUG_6133
6134,6134,6134,6134,6134,6134,6134,6134,DB13631,Methoserpidine,DrugBank,drug,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C(NC5=CC=C(OC)C=C45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C1=CC(OC)=C(OC)C(OC)=C1,DRUG_6134
6135,6135,6135,6135,6135,6135,6135,6135,DB04310,2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide,DrugBank,drug,[H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO,DRUG_6135
6136,6136,6136,6136,6136,6136,6136,6136,DB01016,Glyburide,DrugBank,drug,COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,DRUG_6136
6137,6137,6137,6137,6137,6137,6137,6137,DB00363,Clozapine,DrugBank,drug,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12,DRUG_6137
6138,6138,6138,6138,6138,6138,6138,6138,DB14894,Galicaftor,DrugBank,drug,OC(=O)C1=CC=C(C=C1)[C@H]1C[C@@H](NC(=O)C2(CC2)C2=CC3=C(OC(F)(F)O3)C=C2)C2=C(O1)C=C(OC(F)F)C=C2,DRUG_6138
6139,6139,6139,6139,6139,6139,6139,6139,DB07183,N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide,DrugBank,drug,O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1,DRUG_6139
6140,6140,6140,6140,6140,6140,6140,6140,DB15367,LY-2623091,DrugBank,drug,C[C@H](CN1CCOCC1)N1C(NC(N)=O)=NC2=C1C=CC(\C=C1/C3=CC=CC=C3COC3=CC(F)=CC=C13)=C2,DRUG_6140
6141,6141,6141,6141,6141,6141,6141,6141,DB05232,Tetrodotoxin,DrugBank,drug,[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO,DRUG_6141
6142,6142,6142,6142,6142,6142,6142,6142,DB02383,Tolrestat,DrugBank,drug,COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F,DRUG_6142
6143,6143,6143,6143,6143,6143,6143,6143,DB05494,Elacytarabine,DrugBank,drug,CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,DRUG_6143
6144,6144,6144,6144,6144,6144,6144,6144,DB04537,Tryptophanamide,DrugBank,drug,N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O,DRUG_6144
6145,6145,6145,6145,6145,6145,6145,6145,DB04365,Arecoline,DrugBank,drug,COC(=O)C1=CCCN(C)C1,DRUG_6145
6146,6146,6146,6146,6146,6146,6146,6146,DB03957,SP2456,DrugBank,drug,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N1CCC(CC1)C1=CC(=NN1[H])C1=C(Cl)C(Cl)=CC=C1)N([H])[H],DRUG_6146
6147,6147,6147,6147,6147,6147,6147,6147,DB07368,4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE,DrugBank,drug,CS(=O)(=O)C1=CC=C(C=C1)C(N)=N,DRUG_6147
6148,6148,6148,6148,6148,6148,6148,6148,DB17999,Acoramidis,DrugBank,drug,CC1=C(CCCOC2=CC(=CC=C2F)C(O)=O)C(C)=NN1,DRUG_6148
6149,6149,6149,6149,6149,6149,6149,6149,DB15194,Cotadutide,DrugBank,drug,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(O)=O)C(O)=O,DRUG_6149
6150,6150,6150,6150,6150,6150,6150,6150,DB01908,RU85493,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_6150
6151,6151,6151,6151,6151,6151,6151,6151,DB01782,Pyrazolanthrone,DrugBank,drug,O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2,DRUG_6151
6152,6152,6152,6152,6152,6152,6152,6152,DB09295,Talniflumate,DrugBank,drug,FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OC2OC(=O)C3=CC=CC=C23)=CC=C1,DRUG_6152
6153,6153,6153,6153,6153,6153,6153,6153,DB14518,Aluminum acetate,DrugBank,drug,[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O,DRUG_6153
6154,6154,6154,6154,6154,6154,6154,6154,DB01246,Alimemazine,DrugBank,drug,CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_6154
6155,6155,6155,6155,6155,6155,6155,6155,DB04250,Butyrylthiocholine,DrugBank,drug,CCCC(=O)SCC[N+](C)(C)C,DRUG_6155
6156,6156,6156,6156,6156,6156,6156,6156,DB02573,"2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate",DrugBank,drug,[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](CO)O1,DRUG_6156
6157,6157,6157,6157,6157,6157,6157,6157,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",DrugBank,drug,[H]N1C=C(C[N+]2([H])C[C@H](O)[C@@H](CO)C2)C2N=CN([H])C(=O)C12,DRUG_6157
6158,6158,6158,6158,6158,6158,6158,6158,DB16279,Pecavaptan,DrugBank,drug,C[C@H](O)C1=NC(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)C2=CC=C(Cl)C=C2)=NN1C1=CC(Cl)=CC=C1,DRUG_6158
6159,6159,6159,6159,6159,6159,6159,6159,DB12205,Ganitumab,DrugBank,drug,,DRUG_6159
6160,6160,6160,6160,6160,6160,6160,6160,DB01251,Gliquidone,DrugBank,drug,COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O,DRUG_6160
6161,6161,6161,6161,6161,6161,6161,6161,DB04677,N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE,DrugBank,drug,[H][C@@](C)(CC1=CC=CC=C1)N(C)CC=C,DRUG_6161
6162,6162,6162,6162,6162,6162,6162,6162,DB01025,Amlexanox,DrugBank,drug,CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1,DRUG_6162
6163,6163,6163,6163,6163,6163,6163,6163,DB02636,"9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid",DrugBank,drug,COC1=C(O)C=CC2=C1C=C(C1=C2C2=C(OCO2)C=C1C(O)=O)[N+]([O-])=O,DRUG_6163
6164,6164,6164,6164,6164,6164,6164,6164,DB01851,Tetrabutylammonium Ion,DrugBank,drug,CCCC[N+](CCCC)(CCCC)CCCC,DRUG_6164
6165,6165,6165,6165,6165,6165,6165,6165,DB00200,Hydroxocobalamin,DrugBank,drug,[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H],DRUG_6165
6166,6166,6166,6166,6166,6166,6166,6166,DB11364,Pidotimod,DrugBank,drug,OC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1,DRUG_6166
6167,6167,6167,6167,6167,6167,6167,6167,DB00010,Sermorelin,DrugBank,drug,,DRUG_6167
6168,6168,6168,6168,6168,6168,6168,6168,DB15463,Belzutifan,DrugBank,drug,CS(=O)(=O)C1=CC=C(OC2=CC(=CC(F)=C2)C#N)C2=C1[C@H](O)[C@H](F)[C@@H]2F,DRUG_6168
6169,6169,6169,6169,6169,6169,6169,6169,DB13185,Oxabolone cipionate,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(O)C(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1,DRUG_6169
6170,6170,6170,6170,6170,6170,6170,6170,DB12756,TAK-901,DrugBank,drug,CCS(=O)(=O)C1=CC=CC(=C1)C1=CC(C(=O)NC2CCN(C)CC2)=C(C)C2=C1C1=C(N2)N=CC(C)=C1,DRUG_6170
6171,6171,6171,6171,6171,6171,6171,6171,DB08833,Taurochenodeoxycholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,DRUG_6171
6172,6172,6172,6172,6172,6172,6172,6172,DB09249,Octamoxin,DrugBank,drug,CCCCCCC(C)NN,DRUG_6172
6173,6173,6173,6173,6173,6173,6173,6173,DB08862,Cholecystokinin,DrugBank,drug,,DRUG_6173
6174,6174,6174,6174,6174,6174,6174,6174,DB16055,PT-2385,DrugBank,drug,CS(=O)(=O)C1=C2[C@H](O)C(F)(F)CC2=C(OC2=CC(=CC(F)=C2)C#N)C=C1,DRUG_6174
6175,6175,6175,6175,6175,6175,6175,6175,DB07977,"3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=C(C=CS1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC(OC(F)(F)F)=CC=C1,DRUG_6175
6176,6176,6176,6176,6176,6176,6176,6176,DB07425,Sobetirome,DrugBank,drug,CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1,DRUG_6176
6177,6177,6177,6177,6177,6177,6177,6177,DB08533,"3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",DrugBank,drug,CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1,DRUG_6177
6178,6178,6178,6178,6178,6178,6178,6178,DB07594,CCT-018159,DrugBank,drug,CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1,DRUG_6178
6179,6179,6179,6179,6179,6179,6179,6179,DB16891,ENMD-981693,DrugBank,drug,CN1CCN(CC1)C1=CC(NC2=NNC(C)=C2)=NC(\C=C\C2=CC=CC=C2)=N1,DRUG_6179
6180,6180,6180,6180,6180,6180,6180,6180,DB08734,"6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE",DrugBank,drug,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC(Cl)=C(Cl)C=C1Cl,DRUG_6180
6181,6181,6181,6181,6181,6181,6181,6181,DB15598,Ferric maltol,DrugBank,drug,[Fe+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,DRUG_6181
6182,6182,6182,6182,6182,6182,6182,6182,DB04147,Dodecyldimethylamine N-oxide,DrugBank,drug,CCCCCCCCCCCC[N+](C)(C)[O-],DRUG_6182
6183,6183,6183,6183,6183,6183,6183,6183,DB08896,Regorafenib,DrugBank,drug,CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1,DRUG_6183
6184,6184,6184,6184,6184,6184,6184,6184,DB07585,"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",DrugBank,drug,ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2,DRUG_6184
6185,6185,6185,6185,6185,6185,6185,6185,DB11443,Orbifloxacin,DrugBank,drug,[H][C@]1(C)CN(C[C@@]([H])(C)N1)C1=C(F)C(F)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,DRUG_6185
6186,6186,6186,6186,6186,6186,6186,6186,DB01152,Candicidin,DrugBank,drug,CC(CC(C)C1OC(=O)CC(=O)CCCC(=O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C(O)CC(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C1C)C(O)=O)C(O)CC(=O)C1=CC=C(N)C=C1,DRUG_6186
6187,6187,6187,6187,6187,6187,6187,6187,DB01890,"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide",DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)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,DRUG_6187
6188,6188,6188,6188,6188,6188,6188,6188,DB00025,"Antihemophilic factor, human recombinant",DrugBank,drug,,DRUG_6188
6189,6189,6189,6189,6189,6189,6189,6189,DB02603,1-Amino-6-Cyclohex-3-Enylmethyloxypurine,DrugBank,drug,NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1,DRUG_6189
6190,6190,6190,6190,6190,6190,6190,6190,DB02340,N-Acetyl-Serine,DrugBank,drug,CC(=O)N[C@@H](CO)C(O)=O,DRUG_6190
6191,6191,6191,6191,6191,6191,6191,6191,DB15233,Avapritinib,DrugBank,drug,CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1,DRUG_6191
6192,6192,6192,6192,6192,6192,6192,6192,DB07122,1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine,DrugBank,drug,NC(N)=NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1,DRUG_6192
6193,6193,6193,6193,6193,6193,6193,6193,DB00434,Cyproheptadine,DrugBank,drug,CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12,DRUG_6193
6194,6194,6194,6194,6194,6194,6194,6194,DB06147,Sulfathiazole,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,DRUG_6194
6195,6195,6195,6195,6195,6195,6195,6195,DB11657,Tabalumab,DrugBank,drug,,DRUG_6195
6196,6196,6196,6196,6196,6196,6196,6196,DB02071,WAY-151693,DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO,DRUG_6196
6197,6197,6197,6197,6197,6197,6197,6197,DB15021,Leriglitazone,DrugBank,drug,CC(O)C1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,DRUG_6197
6198,6198,6198,6198,6198,6198,6198,6198,DB09570,Ixazomib,DrugBank,drug,CC(C)C[C@H](NC(=O)CNC(=O)C1=CC(Cl)=CC=C1Cl)B(O)O,DRUG_6198
6199,6199,6199,6199,6199,6199,6199,6199,DB05050,ADL5859,DrugBank,drug,,DRUG_6199
6200,6200,6200,6200,6200,6200,6200,6200,DB02073,Biliverdine IX Alpha,DrugBank,drug,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,DRUG_6200
6201,6201,6201,6201,6201,6201,6201,6201,DB08400,4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid,DrugBank,drug,OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1,DRUG_6201
6202,6202,6202,6202,6202,6202,6202,6202,DB04815,Clioquinol,DrugBank,drug,OC1=C(I)C=C(Cl)C2=C1N=CC=C2,DRUG_6202
6203,6203,6203,6203,6203,6203,6203,6203,DB00566,Succimer,DrugBank,drug,OC(=O)[C@@H](S)[C@@H](S)C(O)=O,DRUG_6203
6204,6204,6204,6204,6204,6204,6204,6204,DB04156,Aspartate beryllium trifluoride,DrugBank,drug,N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O,DRUG_6204
6205,6205,6205,6205,6205,6205,6205,6205,DB04907,Sitimagene ceradenovec,DrugBank,drug,,DRUG_6205
6206,6206,6206,6206,6206,6206,6206,6206,DB13269,Dichlorobenzyl alcohol,DrugBank,drug,OCC1=C(Cl)C=C(Cl)C=C1,DRUG_6206
6207,6207,6207,6207,6207,6207,6207,6207,DB12869,Eliprodil,DrugBank,drug,OC(CN1CCC(CC2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,DRUG_6207
6208,6208,6208,6208,6208,6208,6208,6208,DB13377,Vinbarbital,DrugBank,drug,CC\C=C(/C)C1(CC)C(=O)NC(=O)NC1=O,DRUG_6208
6209,6209,6209,6209,6209,6209,6209,6209,DB15628,Inolimomab,DrugBank,drug,,DRUG_6209
6210,6210,6210,6210,6210,6210,6210,6210,DB00378,Dydrogesterone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C,DRUG_6210
6211,6211,6211,6211,6211,6211,6211,6211,DB00187,Esmolol,DrugBank,drug,COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1,DRUG_6211
6212,6212,6212,6212,6212,6212,6212,6212,DB14481,Calcium phosphate dihydrate,DrugBank,drug,O.O.[Ca++].OP([O-])([O-])=O,DRUG_6212
6213,6213,6213,6213,6213,6213,6213,6213,DB01399,Salsalate,DrugBank,drug,OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O,DRUG_6213
6214,6214,6214,6214,6214,6214,6214,6214,DB08632,Trimesic acid,DrugBank,drug,OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O,DRUG_6214
6215,6215,6215,6215,6215,6215,6215,6215,DB07106,SKF-91488,DrugBank,drug,CN(C)CCCCSC(N)=N,DRUG_6215
6216,6216,6216,6216,6216,6216,6216,6216,DB12955,Delparantag,DrugBank,drug,COC1=CC=C(NC(=O)[C@H](CCCCN)NC(=O)C2=CC(NC(=O)[C@H](CCCCN)NC(=O)C3=CC(NC(=O)[C@H](CCCCN)NC(=O)C4=CC(NC(=O)[C@@H](N)CCCCN)=CC=C4OC)=CC=C3OC)=CC=C2OC)C=C1C(N)=O,DRUG_6216
6217,6217,6217,6217,6217,6217,6217,6217,DB07165,N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE,DrugBank,drug,[H][C@@]1(Cl)CN=C(NCCC2=NC=CC=C2)[C@]([H])(O)N1CC(=O)NCC1=CSC2=CC=C(Cl)C=C12,DRUG_6217
6218,6218,6218,6218,6218,6218,6218,6218,DB08411,N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine,DrugBank,drug,[H][C@@](C)(NC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,DRUG_6218
6219,6219,6219,6219,6219,6219,6219,6219,DB00820,Tadalafil,DrugBank,drug,[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1,DRUG_6219
6220,6220,6220,6220,6220,6220,6220,6220,DB01591,Solifenacin,DrugBank,drug,O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1,DRUG_6220
6221,6221,6221,6221,6221,6221,6221,6221,DB00161,Valine,DrugBank,drug,CC(C)[C@H](N)C(O)=O,DRUG_6221
6222,6222,6222,6222,6222,6222,6222,6222,DB01551,Dihydrocodeine,DrugBank,drug,[H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]5([H])CC[C@@H]2O)=CC=C3OC,DRUG_6222
6223,6223,6223,6223,6223,6223,6223,6223,DB03052,Dazoxiben,DrugBank,drug,OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1,DRUG_6223
6224,6224,6224,6224,6224,6224,6224,6224,DB04007,Bromo-WR99210,DrugBank,drug,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC=C(Br)C=C1,DRUG_6224
6225,6225,6225,6225,6225,6225,6225,6225,DB08826,Deferiprone,DrugBank,drug,CN1C=CC(=O)C(O)=C1C,DRUG_6225
6226,6226,6226,6226,6226,6226,6226,6226,DB06635,Otamixaban,DrugBank,drug,COC(=O)[C@H](CC1=CC(=CC=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=[N+]([O-])C=C1,DRUG_6226
6227,6227,6227,6227,6227,6227,6227,6227,DB06911,D-leucyl-N-(3-chlorobenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,DRUG_6227
6228,6228,6228,6228,6228,6228,6228,6228,DB02565,4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide,DrugBank,drug,CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO,DRUG_6228
6229,6229,6229,6229,6229,6229,6229,6229,DB03600,Capric acid,DrugBank,drug,CCCCCCCCCC(O)=O,DRUG_6229
6230,6230,6230,6230,6230,6230,6230,6230,DB15187,Dubermatinib,DrugBank,drug,CN(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(CN3CCN(C)CC3)C=C2)=NC=C1Cl,DRUG_6230
6231,6231,6231,6231,6231,6231,6231,6231,DB12976,Robatumumab,DrugBank,drug,,DRUG_6231
6232,6232,6232,6232,6232,6232,6232,6232,DB16079,Aclimostat,DrugBank,drug,[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N1CC(CCN2CCOCC2)C1)[C@@]1(C)O[C@@H]1CC=C(C)C,DRUG_6232
6233,6233,6233,6233,6233,6233,6233,6233,DB05482,SN-38,DrugBank,drug,CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,DRUG_6233
6234,6234,6234,6234,6234,6234,6234,6234,DB00954,Dirithromycin,DrugBank,drug,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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O,DRUG_6234
6235,6235,6235,6235,6235,6235,6235,6235,DB11473,Metrifonate,DrugBank,drug,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,DRUG_6235
6236,6236,6236,6236,6236,6236,6236,6236,DB11819,ASP-4058,DrugBank,drug,C[C@H](OC1=CC=C(C=C1C(F)(F)F)C1=NC(=NO1)C1=CC=C2NC=NC2=C1)C(F)(F)F,DRUG_6236
6237,6237,6237,6237,6237,6237,6237,6237,DB00402,Eszopiclone,DrugBank,drug,CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,DRUG_6237
6238,6238,6238,6238,6238,6238,6238,6238,DB02076,6-phospho-D-gluconic acid,DrugBank,drug,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,DRUG_6238
6239,6239,6239,6239,6239,6239,6239,6239,DB06371,Siplizumab,DrugBank,drug,,DRUG_6239
6240,6240,6240,6240,6240,6240,6240,6240,DB01419,Antrafenine,DrugBank,drug,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1,DRUG_6240
6241,6241,6241,6241,6241,6241,6241,6241,DB06037,PR-15,DrugBank,drug,,DRUG_6241
6242,6242,6242,6242,6242,6242,6242,6242,DB07002,4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile,DrugBank,drug,COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1,DRUG_6242
6243,6243,6243,6243,6243,6243,6243,6243,DB06835,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID,DrugBank,drug,[H][C@@](C[P@@](O)(=O)[C@@]([H])(NS(=O)(=O)CCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC=CC(CN)=C1,DRUG_6243
6244,6244,6244,6244,6244,6244,6244,6244,DB12083,Mafosfamide,DrugBank,drug,OS(=O)(=O)CCS[C@H]1CCO[P@@](=O)(N1)N(CCCl)CCCl,DRUG_6244
6245,6245,6245,6245,6245,6245,6245,6245,DB05412,Talmapimod,DrugBank,drug,[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1,DRUG_6245
6246,6246,6246,6246,6246,6246,6246,6246,DB11682,Daprodustat,DrugBank,drug,OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,DRUG_6246
6247,6247,6247,6247,6247,6247,6247,6247,DB00502,Haloperidol,DrugBank,drug,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,DRUG_6247
6248,6248,6248,6248,6248,6248,6248,6248,DB06784,Gallium citrate Ga-67,DrugBank,drug,[67Ga+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_6248
6249,6249,6249,6249,6249,6249,6249,6249,DB04352,beta-D-Ribose-5-phosphate,DrugBank,drug,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_6249
6250,6250,6250,6250,6250,6250,6250,6250,DB00781,Polymyxin B,DrugBank,drug,,DRUG_6250
6251,6251,6251,6251,6251,6251,6251,6251,DB05171,E-2012,DrugBank,drug,[H]\C(C1=CC(OC)=C(C=C1)N1C=NC(C)=C1)=C1\CCCN(C1=O)[C@@]([H])(C)C1=CC=C(F)C=C1,DRUG_6251
6252,6252,6252,6252,6252,6252,6252,6252,DB07648,"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL",DrugBank,drug,[H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,DRUG_6252
6253,6253,6253,6253,6253,6253,6253,6253,DB03012,Phenylalanine-N-Sulfonamide,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NS(N)(=O)=O)C(O)=O,DRUG_6253
6254,6254,6254,6254,6254,6254,6254,6254,DB13158,Clobetasone,DrugBank,drug,[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,DRUG_6254
6255,6255,6255,6255,6255,6255,6255,6255,DB06875,ERB-196,DrugBank,drug,OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1,DRUG_6255
6256,6256,6256,6256,6256,6256,6256,6256,DB13580,Succinylsulfathiazole,DrugBank,drug,OC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,DRUG_6256
6257,6257,6257,6257,6257,6257,6257,6257,DB12593,Apaziquone,DrugBank,drug,CN1C(\C=C\CO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O,DRUG_6257
6258,6258,6258,6258,6258,6258,6258,6258,DB01964,AL5424,DrugBank,drug,[H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_6258
6259,6259,6259,6259,6259,6259,6259,6259,DB13665,Fluanisone,DrugBank,drug,COC1=CC=CC=C1N1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,DRUG_6259
6260,6260,6260,6260,6260,6260,6260,6260,DB05254,Fibrinolysin,DrugBank,drug,,DRUG_6260
6261,6261,6261,6261,6261,6261,6261,6261,DB13811,Oblimersen,DrugBank,drug,,DRUG_6261
6262,6262,6262,6262,6262,6262,6262,6262,DB12312,ORG-25435,DrugBank,drug,CC[C@@H](N(CCOC)CCOC)C(=O)OC1=C(OC)C=C(C)C=C1OC,DRUG_6262
6263,6263,6263,6263,6263,6263,6263,6263,DB07261,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE",DrugBank,drug,[H][C@@]1(CCN(CC2=CC3=C(C=CN=C3N)C=C2)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,DRUG_6263
6264,6264,6264,6264,6264,6264,6264,6264,DB01534,Chlorhexadol,DrugBank,drug,CC(CC(C)(C)O)OC(O)C(Cl)(Cl)Cl,DRUG_6264
6265,6265,6265,6265,6265,6265,6265,6265,DB00108,Natalizumab,DrugBank,drug,,DRUG_6265
6266,6266,6266,6266,6266,6266,6266,6266,DB05806,Cositecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O,DRUG_6266
6267,6267,6267,6267,6267,6267,6267,6267,DB09049,Naloxegol,DrugBank,drug,COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5,DRUG_6267
6268,6268,6268,6268,6268,6268,6268,6268,DB10062,"Rabies virus inactivated antigen, B",DrugBank,drug,,DRUG_6268
6269,6269,6269,6269,6269,6269,6269,6269,DB01656,Roflumilast,DrugBank,drug,FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl,DRUG_6269
6270,6270,6270,6270,6270,6270,6270,6270,DB15940,Imdevimab,DrugBank,drug,,DRUG_6270
6271,6271,6271,6271,6271,6271,6271,6271,DB00984,Nandrolone phenpropionate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_6271
6272,6272,6272,6272,6272,6272,6272,6272,DB03980,4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole,DrugBank,drug,NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1,DRUG_6272
6273,6273,6273,6273,6273,6273,6273,6273,DB07504,(2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,DrugBank,drug,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,DRUG_6273
6274,6274,6274,6274,6274,6274,6274,6274,DB03784,Elaidamide,DrugBank,drug,CCCCCCCC\C=C\CCCCCCCC(N)=O,DRUG_6274
6275,6275,6275,6275,6275,6275,6275,6275,DB00927,Famotidine,DrugBank,drug,NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,DRUG_6275
6276,6276,6276,6276,6276,6276,6276,6276,DB15409,Ladiratuzumab vedotin,DrugBank,drug,,DRUG_6276
6277,6277,6277,6277,6277,6277,6277,6277,DB12560,Blosozumab,DrugBank,drug,,DRUG_6277
6278,6278,6278,6278,6278,6278,6278,6278,DB14015,Sodium bisulfite,DrugBank,drug,[Na+].OS([O-])=O,DRUG_6278
6279,6279,6279,6279,6279,6279,6279,6279,DB00234,Reboxetine,DrugBank,drug,[H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,DRUG_6279
6280,6280,6280,6280,6280,6280,6280,6280,DB13515,Levomethadone,DrugBank,drug,CCC(=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6280
6281,6281,6281,6281,6281,6281,6281,6281,DB13066,Liarozole,DrugBank,drug,ClC1=CC=CC(=C1)C(N1C=CN=C1)C1=CC=C2N=CNC2=C1,DRUG_6281
6282,6282,6282,6282,6282,6282,6282,6282,DB15229,CNV-2197944,DrugBank,drug,C[C@H]1CN(CCN1C(=O)C1=CC=CN=C1C)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F,DRUG_6282
6283,6283,6283,6283,6283,6283,6283,6283,DB16629,Serdexmethylphenidate,DrugBank,drug,[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1,DRUG_6283
6284,6284,6284,6284,6284,6284,6284,6284,DB07995,H-89,DrugBank,drug,BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1,DRUG_6284
6285,6285,6285,6285,6285,6285,6285,6285,DB02166,Propidium,DrugBank,drug,CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2,DRUG_6285
6286,6286,6286,6286,6286,6286,6286,6286,DB11554,Tylvalosin,DrugBank,drug,CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,DRUG_6286
6287,6287,6287,6287,6287,6287,6287,6287,DB02986,"N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1,DRUG_6287
6288,6288,6288,6288,6288,6288,6288,6288,DB12844,Rontalizumab,DrugBank,drug,,DRUG_6288
6289,6289,6289,6289,6289,6289,6289,6289,DB09208,Pegloticase,DrugBank,drug,,DRUG_6289
6290,6290,6290,6290,6290,6290,6290,6290,DB08042,"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",DrugBank,drug,COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC,DRUG_6290
6291,6291,6291,6291,6291,6291,6291,6291,DB01646,N-Acetylmethionine,DrugBank,drug,CSCC[C@H](NC(C)=O)C(O)=O,DRUG_6291
6292,6292,6292,6292,6292,6292,6292,6292,DB13551,Cinchophen,DrugBank,drug,OC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC=CC=C1,DRUG_6292
6293,6293,6293,6293,6293,6293,6293,6293,DB15034,PRI-724,DrugBank,drug,C[C@H]1[C@H]2N([C@@H](CC3=CC=C(OP(O)(O)=O)C=C3)C(=O)N1CC1=CC=CC3=C1N=CC=C3)C(=O)CN(C)N2C(=O)NCC1=CC=CC=C1,DRUG_6293
6294,6294,6294,6294,6294,6294,6294,6294,DB06362,Becatecarin,DrugBank,drug,CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2,DRUG_6294
6295,6295,6295,6295,6295,6295,6295,6295,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",DrugBank,drug,BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3,DRUG_6295
6296,6296,6296,6296,6296,6296,6296,6296,DB14371,Mangostin,DrugBank,drug,,DRUG_6296
6297,6297,6297,6297,6297,6297,6297,6297,DB11992,Omarigliptin,DrugBank,drug,CS(=O)(=O)N1C=C2CN(CC2=N1)[C@H]1CO[C@@H]([C@@H](N)C1)C1=CC(F)=CC=C1F,DRUG_6297
6298,6298,6298,6298,6298,6298,6298,6298,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",DrugBank,drug,CN1N=CC2=C1C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2,DRUG_6298
6299,6299,6299,6299,6299,6299,6299,6299,DB00657,Mecamylamine,DrugBank,drug,CNC1(C)C2CCC(C2)C1(C)C,DRUG_6299
6300,6300,6300,6300,6300,6300,6300,6300,DB13028,Biapenem,DrugBank,drug,[H][C@](C)(O)[C@@]1([H])C(=O)N2C(C([O-])=O)=C(SC3CN4C=NC=[N+]4C3)[C@]([H])(C)[C@]12[H],DRUG_6300
6301,6301,6301,6301,6301,6301,6301,6301,DB13118,Paquinimod,DrugBank,drug,CCN(C(=O)C1=C(O)C2=C(CC)C=CC=C2N(C)C1=O)C1=CC=CC=C1,DRUG_6301
6302,6302,6302,6302,6302,6302,6302,6302,DB07008,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE",DrugBank,drug,C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2,DRUG_6302
6303,6303,6303,6303,6303,6303,6303,6303,DB16109,GED-0507-34-Levo,DrugBank,drug,CO[C@@H](CC1=CC=C(N)C=C1)C(O)=O,DRUG_6303
6304,6304,6304,6304,6304,6304,6304,6304,DB18793,Trelanserin,DrugBank,drug,NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)C2=C3C=CSC3=CC=N2)C2=CC=C(F)C=C12,DRUG_6304
6305,6305,6305,6305,6305,6305,6305,6305,DB02373,Adenosine monotungstate,DrugBank,drug,[H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O,DRUG_6305
6306,6306,6306,6306,6306,6306,6306,6306,DB02520,Ditiocarb,DrugBank,drug,CCN(CC)C(S)=S,DRUG_6306
6307,6307,6307,6307,6307,6307,6307,6307,DB14033,Acetyl sulfisoxazole,DrugBank,drug,CC(=O)N(C1=C(C)C(C)=NO1)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_6307
6308,6308,6308,6308,6308,6308,6308,6308,DB07943,SD-0006,DrugBank,drug,OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=CC=NC=N1)C1=CC=C(Cl)C=C1,DRUG_6308
6309,6309,6309,6309,6309,6309,6309,6309,DB13552,Trifluperidol,DrugBank,drug,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC(=CC=C1)C(F)(F)F,DRUG_6309
6310,6310,6310,6310,6310,6310,6310,6310,DB07586,"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE",DrugBank,drug,CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO,DRUG_6310
6311,6311,6311,6311,6311,6311,6311,6311,DB01409,Tiotropium,DrugBank,drug,[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,DRUG_6311
6312,6312,6312,6312,6312,6312,6312,6312,DB03181,"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione",DrugBank,drug,CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O,DRUG_6312
6313,6313,6313,6313,6313,6313,6313,6313,DB04844,Tetrabenazine,DrugBank,drug,COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1,DRUG_6313
6314,6314,6314,6314,6314,6314,6314,6314,DB11936,Bempedoic acid,DrugBank,drug,CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O,DRUG_6314
6315,6315,6315,6315,6315,6315,6315,6315,DB00409,Remoxipride,DrugBank,drug,CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC,DRUG_6315
6316,6316,6316,6316,6316,6316,6316,6316,DB14982,Miransertib,DrugBank,drug,NC1=NC=CC=C1C1=NC2=CC=C(N=C2N1C1=CC=C(C=C1)C1(N)CCC1)C1=CC=CC=C1,DRUG_6316
6317,6317,6317,6317,6317,6317,6317,6317,DB01554,Bolandiol,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O,DRUG_6317
6318,6318,6318,6318,6318,6318,6318,6318,DB07883,(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE,DrugBank,drug,[H][C@]12CC[C@]([H])(C1)[C@](N)(C(=O)C1=CC=CC=C1)[C@]2([H])C1=CC=CC=C1,DRUG_6318
6319,6319,6319,6319,6319,6319,6319,6319,DB12242,AZD-7762,DrugBank,drug,NC(=O)NC1=C(SC(=C1)C1=CC=CC(F)=C1)C(=O)N[C@H]1CCCNC1,DRUG_6319
6320,6320,6320,6320,6320,6320,6320,6320,DB07531,"4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O,DRUG_6320
6321,6321,6321,6321,6321,6321,6321,6321,DB16227,Masilukast,DrugBank,drug,COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(C=C2)C(=O)NC[C@H](C)CC(F)(F)F)C(=O)NS(=O)(=O)C1=CC=CC=C1C,DRUG_6321
6322,6322,6322,6322,6322,6322,6322,6322,DB05311,Ecallantide,DrugBank,drug,,DRUG_6322
6323,6323,6323,6323,6323,6323,6323,6323,DB02347,2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid,DrugBank,drug,CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1,DRUG_6323
6324,6324,6324,6324,6324,6324,6324,6324,DB11375,Avilamycin,DrugBank,drug,[H][C@]12COC(O[C@@H]3O[C@H](COC)[C@@H](O[C@@H]4O[C@H](C)[C@H](OC)[C@H](O[C@H]5C[C@@]6(C)OC7(C[C@@H](O)[C@H](O[C@H]8C[C@@H](O)[C@H](OC(=O)C9=C(C)C(Cl)=C(O)C(Cl)=C9OC)[C@@H](C)O8)[C@@H](C)O7)O[C@]6([H])[C@@H](C)O5)[C@H]4O)[C@H](O)[C@@H]3OC)[C@H](OC(=O)C(C)C)[C@]1([H])O[C@@]1(O2)O[C@H](C)[C@@](O)(C(C)=O)[C@]2([H])OCO[C@@]12[H],DRUG_6324
6325,6325,6325,6325,6325,6325,6325,6325,DB14719,Bentazepam,DrugBank,drug,O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1,DRUG_6325
6326,6326,6326,6326,6326,6326,6326,6326,DB04200,Matairesinol,DrugBank,drug,[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1,DRUG_6326
6327,6327,6327,6327,6327,6327,6327,6327,DB15066,Givosiran,DrugBank,drug,,DRUG_6327
6328,6328,6328,6328,6328,6328,6328,6328,DB00301,Flucloxacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1F)C(O)=O,DRUG_6328
6329,6329,6329,6329,6329,6329,6329,6329,DB11891,Fimepinostat,DrugBank,drug,COC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1,DRUG_6329
6330,6330,6330,6330,6330,6330,6330,6330,DB06762,Pinacidil,DrugBank,drug,CC(N\C(NC#N)=N\C1=CC=NC=C1)C(C)(C)C,DRUG_6330
6331,6331,6331,6331,6331,6331,6331,6331,DB04260,"9-(5,5-Difluoro-5-Phosphonopentyl)Guanine",DrugBank,drug,NC1=NC2=C(N=CN2CCCCC(F)(F)P(O)(O)=O)C(=O)N1,DRUG_6331
6332,6332,6332,6332,6332,6332,6332,6332,DB03906,2-Phenylheme,DrugBank,drug,CC1=C(C=C)C2=CC3=[N+]4C(=CC5=C(C)C(CCC(O)=O)=C6N5[Fe]44N2C1=CC1=[N+]4C(C(CCC(O)=O)=C1C)=C6C1=CC=CC=C1)C(C=C)=C3C,DRUG_6332
6333,6333,6333,6333,6333,6333,6333,6333,DB13784,Dixyrazine,DrugBank,drug,CC(CN1CCN(CCOCCO)CC1)CN1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_6333
6334,6334,6334,6334,6334,6334,6334,6334,DB12145,AZD-0328,DrugBank,drug,C1C2=C(O[C@]11CN3CCC1CC3)N=CC=C2,DRUG_6334
6335,6335,6335,6335,6335,6335,6335,6335,DB02497,L-Alpha-Glycerophosphorylserine,DrugBank,drug,[H][C@@](O)(CO)COP(O)(=O)OC[C@]([H])(N)C(O)=O,DRUG_6335
6336,6336,6336,6336,6336,6336,6336,6336,DB01496,"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione",DrugBank,drug,FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1,DRUG_6336
6337,6337,6337,6337,6337,6337,6337,6337,DB07945,"5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid",DrugBank,drug,NC(=O)C1=CC=CC(CN2C3=C(CCCCC3)C3=CC=CC(C(O)=O)=C23)=C1,DRUG_6337
6338,6338,6338,6338,6338,6338,6338,6338,DB09001,Barbexaclone,DrugBank,drug,CN[C@@H](C)CC1CCCCC1.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,DRUG_6338
6339,6339,6339,6339,6339,6339,6339,6339,DB13165,Ripasudil,DrugBank,drug,C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1,DRUG_6339
6340,6340,6340,6340,6340,6340,6340,6340,DB07294,"3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid",DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,DRUG_6340
6341,6341,6341,6341,6341,6341,6341,6341,DB00232,Methyclothiazide,DrugBank,drug,CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,DRUG_6341
6342,6342,6342,6342,6342,6342,6342,6342,DB11590,Thimerosal,DrugBank,drug,[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O,DRUG_6342
6343,6343,6343,6343,6343,6343,6343,6343,DB13480,Lentinan,DrugBank,drug,,DRUG_6343
6344,6344,6344,6344,6344,6344,6344,6344,DB12200,Tivantinib,DrugBank,drug,O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3,DRUG_6344
6345,6345,6345,6345,6345,6345,6345,6345,DB12870,Buthionine sulfoximine,DrugBank,drug,CCCCS(=N)(=O)CCC(N)C(O)=O,DRUG_6345
6346,6346,6346,6346,6346,6346,6346,6346,DB07619,"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",DrugBank,drug,[H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,DRUG_6346
6347,6347,6347,6347,6347,6347,6347,6347,DB08208,"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE",DrugBank,drug,OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C,DRUG_6347
6348,6348,6348,6348,6348,6348,6348,6348,DB08072,"4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE",DrugBank,drug,CC(C)OC1=CC(NC(=O)C2=CC(Cl)=C(OCCN)C(Cl)=C2)=CC=C1,DRUG_6348
6349,6349,6349,6349,6349,6349,6349,6349,DB01210,Levobunolol,DrugBank,drug,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O,DRUG_6349
6350,6350,6350,6350,6350,6350,6350,6350,DB17032,Indatraline,DrugBank,drug,CN[C@@H]1C[C@H](C2=CC=CC=C12)C1=CC=C(Cl)C(Cl)=C1,DRUG_6350
6351,6351,6351,6351,6351,6351,6351,6351,DB07312,"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE",DrugBank,drug,ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1,DRUG_6351
6352,6352,6352,6352,6352,6352,6352,6352,DB06884,4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE,DrugBank,drug,CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1,DRUG_6352
6353,6353,6353,6353,6353,6353,6353,6353,DB02189,"2',3'-Dideoxyadenosine triphosphate",DrugBank,drug,NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1,DRUG_6353
6354,6354,6354,6354,6354,6354,6354,6354,DB06823,Tiopronin,DrugBank,drug,CC(S)C(=O)NCC(O)=O,DRUG_6354
6355,6355,6355,6355,6355,6355,6355,6355,DB12877,Oxatomide,DrugBank,drug,O=C1NC2=C(C=CC=C2)N1CCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6355
6356,6356,6356,6356,6356,6356,6356,6356,DB14707,Cemiplimab,DrugBank,drug,,DRUG_6356
6357,6357,6357,6357,6357,6357,6357,6357,DB13455,Phenibut,DrugBank,drug,NCC(CC(O)=O)C1=CC=CC=C1,DRUG_6357
6358,6358,6358,6358,6358,6358,6358,6358,DB05265,Ecabet,DrugBank,drug,[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O,DRUG_6358
6359,6359,6359,6359,6359,6359,6359,6359,DB07728,"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",DrugBank,drug,FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1,DRUG_6359
6360,6360,6360,6360,6360,6360,6360,6360,DB03125,"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium",DrugBank,drug,COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC,DRUG_6360
6361,6361,6361,6361,6361,6361,6361,6361,DB11294,Coccidioides immitis spherule,DrugBank,drug,,DRUG_6361
6362,6362,6362,6362,6362,6362,6362,6362,DB01113,Papaverine,DrugBank,drug,COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,DRUG_6362
6363,6363,6363,6363,6363,6363,6363,6363,DB07508,4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE,DrugBank,drug,CN1C(CC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(NS(=O)(=O)C1=CC=CC=C1)=C2,DRUG_6363
6364,6364,6364,6364,6364,6364,6364,6364,DB07714,"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID",DrugBank,drug,CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O,DRUG_6364
6365,6365,6365,6365,6365,6365,6365,6365,DB04795,Thenoyltrifluoroacetone,DrugBank,drug,FC(F)(F)C(=O)CC(=O)C1=CC=CS1,DRUG_6365
6366,6366,6366,6366,6366,6366,6366,6366,DB16254,Nevanimibe,DrugBank,drug,CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NCC1(CCCC1)C1=CC=C(C=C1)N(C)C,DRUG_6366
6367,6367,6367,6367,6367,6367,6367,6367,DB04258,Seocalcitol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC,DRUG_6367
6368,6368,6368,6368,6368,6368,6368,6368,DB09200,Rivoglitazone,DrugBank,drug,COC1=CC=C2N=C(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)N(C)C2=C1,DRUG_6368
6369,6369,6369,6369,6369,6369,6369,6369,DB02685,3-Methylphenylalanine,DrugBank,drug,CC1=CC=CC(C[C@H](N)C(O)=O)=C1,DRUG_6369
6370,6370,6370,6370,6370,6370,6370,6370,DB11856,Ligelizumab,DrugBank,drug,,DRUG_6370
6371,6371,6371,6371,6371,6371,6371,6371,DB13500,Otilonium,DrugBank,drug,CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C(=O)OCC[N+](C)(CC)CC,DRUG_6371
6372,6372,6372,6372,6372,6372,6372,6372,DB04474,8-anilinonaphthalene-1-sulfonic acid,DrugBank,drug,OS(=O)(=O)C1=CC=CC2=CC=CC(NC3=CC=CC=C3)=C12,DRUG_6372
6373,6373,6373,6373,6373,6373,6373,6373,DB04774,Reidispongiolide A,DrugBank,drug,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)\C[C@H](CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@H](C[C@@H](OC)\C=C\[C@@H]1C)OC)OC)OC,DRUG_6373
6374,6374,6374,6374,6374,6374,6374,6374,DB12100,Abediterol,DrugBank,drug,O[C@@H](CNCCCCCCOCC(F)(F)C1=CC=CC=C1)C1=C2C=CC(=O)NC2=C(O)C=C1,DRUG_6374
6375,6375,6375,6375,6375,6375,6375,6375,DB09151,Flutemetamol (18F),DrugBank,drug,CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1,DRUG_6375
6376,6376,6376,6376,6376,6376,6376,6376,DB14783,Diroximel fumarate,DrugBank,drug,COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O,DRUG_6376
6377,6377,6377,6377,6377,6377,6377,6377,DB07623,"4,4'-DIPYRIDYL DISULFIDE",DrugBank,drug,S(SC1=CC=NC=C1)C1=CC=NC=C1,DRUG_6377
6378,6378,6378,6378,6378,6378,6378,6378,DB08492,(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID,DrugBank,drug,CCCCCCC#CC1=CC=CC=C1\C=C\C(O)=O,DRUG_6378
6379,6379,6379,6379,6379,6379,6379,6379,DB05492,Epicept NP-1,DrugBank,drug,CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O,DRUG_6379
6380,6380,6380,6380,6380,6380,6380,6380,DB12155,Napabucasin,DrugBank,drug,CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O,DRUG_6380
6381,6381,6381,6381,6381,6381,6381,6381,DB08557,"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide",DrugBank,drug,COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2,DRUG_6381
6382,6382,6382,6382,6382,6382,6382,6382,DB00938,Salmeterol,DrugBank,drug,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1,DRUG_6382
6383,6383,6383,6383,6383,6383,6383,6383,DB06726,Bufuralol,DrugBank,drug,CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C,DRUG_6383
6384,6384,6384,6384,6384,6384,6384,6384,DB03349,8-Bromo-Adenosine-5'-Monophosphate,DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_6384
6385,6385,6385,6385,6385,6385,6385,6385,DB16072,ORP-101,DrugBank,drug,[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)=CC=C3OCCOC1=CC=C2C[C@H]3N(CC4CC4)CC[C@]45C2=C1O[C@@]4([H])[C@]1(CC[C@@]35C[C@]1([H])[C@](C)(O)C(C)(C)C)OC,DRUG_6385
6386,6386,6386,6386,6386,6386,6386,6386,DB16791,Etranacogene dezaparvovec,DrugBank,drug,,DRUG_6386
6387,6387,6387,6387,6387,6387,6387,6387,DB01746,D-Leucine,DrugBank,drug,CC(C)C[C@@H](N)C(O)=O,DRUG_6387
6388,6388,6388,6388,6388,6388,6388,6388,DB12237,GW-274150,DrugBank,drug,CC(=N)NCCSCC[C@H](N)C(O)=O,DRUG_6388
6389,6389,6389,6389,6389,6389,6389,6389,DB01905,2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine,DrugBank,drug,COC1=CC=C(O)C(=C1)C1=NC2=C(N1)C=CC(=C2)C(N)=[NH2+],DRUG_6389
6390,6390,6390,6390,6390,6390,6390,6390,DB02116,Olomoucine,DrugBank,drug,CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1,DRUG_6390
6391,6391,6391,6391,6391,6391,6391,6391,DB01174,Phenobarbital,DrugBank,drug,CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,DRUG_6391
6392,6392,6392,6392,6392,6392,6392,6392,DB12527,Sofinicline,DrugBank,drug,ClC1=C(Cl)N=CC(=C1)N1C[C@@H]2CN[C@@H]2C1,DRUG_6392
6393,6393,6393,6393,6393,6393,6393,6393,DB05578,Ramucirumab,DrugBank,drug,,DRUG_6393
6394,6394,6394,6394,6394,6394,6394,6394,DB04903,Pagoclone,DrugBank,drug,CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1,DRUG_6394
6395,6395,6395,6395,6395,6395,6395,6395,DB04896,Milnacipran,DrugBank,drug,CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1,DRUG_6395
6396,6396,6396,6396,6396,6396,6396,6396,DB07846,"(3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate",DrugBank,drug,CCC1=CC=CC=C1NC(=O)OC1=CC2=C(C=C1)N(C)C1C2(C)CC[N+]1(C)[O-],DRUG_6396
6397,6397,6397,6397,6397,6397,6397,6397,DB08842,Acetylcarnitine,DrugBank,drug,CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,DRUG_6397
6398,6398,6398,6398,6398,6398,6398,6398,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",DrugBank,drug,[H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C,DRUG_6398
6399,6399,6399,6399,6399,6399,6399,6399,DB02873,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One",DrugBank,drug,FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl,DRUG_6399
6400,6400,6400,6400,6400,6400,6400,6400,DB12208,Iron isomaltoside 1000,DrugBank,drug,,DRUG_6400
6401,6401,6401,6401,6401,6401,6401,6401,DB12556,MK-5108,DrugBank,drug,OC(=O)[C@@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](CC1)OC1=C(F)C(Cl)=CC=C1,DRUG_6401
6402,6402,6402,6402,6402,6402,6402,6402,DB07220,"N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE",DrugBank,drug,O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O,DRUG_6402
6403,6403,6403,6403,6403,6403,6403,6403,DB15250,Vercirnon,DrugBank,drug,CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)C1=CC=[N+]([O-])C=C1,DRUG_6403
6404,6404,6404,6404,6404,6404,6404,6404,DB02378,MMI-175,DrugBank,drug,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(C)C)C(=O)NCC1=CC=CC=C1,DRUG_6404
6405,6405,6405,6405,6405,6405,6405,6405,DB03832,"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium",DrugBank,drug,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC,DRUG_6405
6406,6406,6406,6406,6406,6406,6406,6406,DB15118,Zolbetuximab,DrugBank,drug,,DRUG_6406
6407,6407,6407,6407,6407,6407,6407,6407,DB03809,9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine,DrugBank,drug,CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12,DRUG_6407
6408,6408,6408,6408,6408,6408,6408,6408,DB02371,"2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid",DrugBank,drug,OCC(CO)(CO)NCCS(O)(=O)=O,DRUG_6408
6409,6409,6409,6409,6409,6409,6409,6409,DB00455,Loratadine,DrugBank,drug,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2,DRUG_6409
6410,6410,6410,6410,6410,6410,6410,6410,DB13837,Doxefazepam,DrugBank,drug,OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F,DRUG_6410
6411,6411,6411,6411,6411,6411,6411,6411,DB04512,2-Isobutyl-3-methoxypyrazine,DrugBank,drug,COC1=C(CC(C)C)N=CC=N1,DRUG_6411
6412,6412,6412,6412,6412,6412,6412,6412,DB07926,N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE,DrugBank,drug,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC,DRUG_6412
6413,6413,6413,6413,6413,6413,6413,6413,DB13507,Poldine,DrugBank,drug,C[N+]1(C)CCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6413
6414,6414,6414,6414,6414,6414,6414,6414,DB00617,Paramethadione,DrugBank,drug,CCC1(C)OC(=O)N(C)C1=O,DRUG_6414
6415,6415,6415,6415,6415,6415,6415,6415,DB02499,Dinor-N(Omega)-Hydroxy-L-Arginine,DrugBank,drug,N[C@@H](C\N=C(/N)NO)C(O)=O,DRUG_6415
6416,6416,6416,6416,6416,6416,6416,6416,DB02742,Kifunensine,DrugBank,drug,[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O,DRUG_6416
6417,6417,6417,6417,6417,6417,6417,6417,DB14644,Methylprednisolone hemisuccinate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,DRUG_6417
6418,6418,6418,6418,6418,6418,6418,6418,DB04770,"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL",DrugBank,drug,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1,DRUG_6418
6419,6419,6419,6419,6419,6419,6419,6419,DB15003,PF-06700841,DrugBank,drug,CN1C=C(NC2=NC=CC(=N2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)C=N1,DRUG_6419
6420,6420,6420,6420,6420,6420,6420,6420,DB03523,Brequinar,DrugBank,drug,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1F,DRUG_6420
6421,6421,6421,6421,6421,6421,6421,6421,DB08291,N-(3-AMINOPROPYL)-2-NITROBENZENAMINE,DrugBank,drug,NCCCNC1=CC=CC=C1[N+]([O-])=O,DRUG_6421
6422,6422,6422,6422,6422,6422,6422,6422,DB16216,Lazertinib,DrugBank,drug,COC1=C(NC2=NC=CC(=N2)N2C=C(CN(C)C)C(=N2)C2=CC=CC=C2)C=C(NC(=O)C=C)C(=C1)N1CCOCC1,DRUG_6422
6423,6423,6423,6423,6423,6423,6423,6423,DB09130,Copper,DrugBank,drug,[Cu],DRUG_6423
6424,6424,6424,6424,6424,6424,6424,6424,DB00066,Follitropin,DrugBank,drug,,DRUG_6424
6425,6425,6425,6425,6425,6425,6425,6425,DB07213,"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL",DrugBank,drug,OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2,DRUG_6425
6426,6426,6426,6426,6426,6426,6426,6426,DB08167,Methylthioninium,DrugBank,drug,CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C,DRUG_6426
6427,6427,6427,6427,6427,6427,6427,6427,DB05475,Golotimod,DrugBank,drug,N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O,DRUG_6427
6428,6428,6428,6428,6428,6428,6428,6428,DB13107,QGC-001,DrugBank,drug,N[C@@H](CCS(O)(=O)=O)CSSC[C@@H](N)CCS(O)(=O)=O,DRUG_6428
6429,6429,6429,6429,6429,6429,6429,6429,DB13248,Phthalylsulfathiazole,DrugBank,drug,OC(=O)C1=CC=CC=C1C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,DRUG_6429
6430,6430,6430,6430,6430,6430,6430,6430,DB08572,4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE,DrugBank,drug,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1,DRUG_6430
6431,6431,6431,6431,6431,6431,6431,6431,DB03892,5-N-Allyl-arginine,DrugBank,drug,N[C@@H](CCC\[NH+]=C(/N)NCC=C)C(O)=O,DRUG_6431
6432,6432,6432,6432,6432,6432,6432,6432,DB12245,Triclabendazole,DrugBank,drug,CSC1=NC2=C(N1)C=C(Cl)C(OC1=CC=CC(Cl)=C1Cl)=C2,DRUG_6432
6433,6433,6433,6433,6433,6433,6433,6433,DB16073,AZD8529,DrugBank,drug,CC1=CC(=CC2=C1C(=O)N(CC1=CC=C(OC(F)(F)F)C=C1)C2)C1=NC(CN2CCNCC2)=NO1,DRUG_6433
6434,6434,6434,6434,6434,6434,6434,6434,DB01024,Mycophenolic acid,DrugBank,drug,COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C,DRUG_6434
6435,6435,6435,6435,6435,6435,6435,6435,DB06155,Rimonabant,DrugBank,drug,CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1,DRUG_6435
6436,6436,6436,6436,6436,6436,6436,6436,DB13106,Glycovir,DrugBank,drug,CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC,DRUG_6436
6437,6437,6437,6437,6437,6437,6437,6437,DB07602,S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE,DrugBank,drug,[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O,DRUG_6437
6438,6438,6438,6438,6438,6438,6438,6438,DB06973,Bisphenol A,DrugBank,drug,CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_6438
6439,6439,6439,6439,6439,6439,6439,6439,DB04612,"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE",DrugBank,drug,CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C,DRUG_6439
6440,6440,6440,6440,6440,6440,6440,6440,DB03413,Deoxyuridine-5'-Diphosphate,DrugBank,drug,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,DRUG_6440
6441,6441,6441,6441,6441,6441,6441,6441,DB13257,Ferrous sulfate anhydrous,DrugBank,drug,[Fe++].[O-]S([O-])(=O)=O,DRUG_6441
6442,6442,6442,6442,6442,6442,6442,6442,DB11239,Aluminum sulfate,DrugBank,drug,[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,DRUG_6442
6443,6443,6443,6443,6443,6443,6443,6443,DB01005,Hydroxyurea,DrugBank,drug,NC(=O)NO,DRUG_6443
6444,6444,6444,6444,6444,6444,6444,6444,DB06996,D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_6444
6445,6445,6445,6445,6445,6445,6445,6445,DB08051,"(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE",DrugBank,drug,[H][C@](N)(CC(=O)N1CCCCCN1C(=O)C1=CC=CC=C1)CC1=C(F)C=C(F)C(F)=C1,DRUG_6445
6446,6446,6446,6446,6446,6446,6446,6446,DB11145,Oxyquinoline,DrugBank,drug,OC1=CC=CC2=C1N=CC=C2,DRUG_6446
6447,6447,6447,6447,6447,6447,6447,6447,DB04322,LY249543,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)N1[H],DRUG_6447
6448,6448,6448,6448,6448,6448,6448,6448,DB00158,Folic acid,DrugBank,drug,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1,DRUG_6448
6449,6449,6449,6449,6449,6449,6449,6449,DB01608,Periciazine,DrugBank,drug,OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1,DRUG_6449
6450,6450,6450,6450,6450,6450,6450,6450,DB00561,Doxapram,DrugBank,drug,CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6450
6451,6451,6451,6451,6451,6451,6451,6451,DB16084,Iron (III) oxide adipate,DrugBank,drug,[O-]C(=O)CCCCC([O-])=O,DRUG_6451
6452,6452,6452,6452,6452,6452,6452,6452,DB00424,Hyoscyamine,DrugBank,drug,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_6452
6453,6453,6453,6453,6453,6453,6453,6453,DB14208,Ramiprilat,DrugBank,drug,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(O)=O,DRUG_6453
6454,6454,6454,6454,6454,6454,6454,6454,DB14066,Tetrandrine,DrugBank,drug,COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4,DRUG_6454
6455,6455,6455,6455,6455,6455,6455,6455,DB14897,Parsatuzumab,DrugBank,drug,,DRUG_6455
6456,6456,6456,6456,6456,6456,6456,6456,DB00091,Cyclosporine,DrugBank,drug,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,DRUG_6456
6457,6457,6457,6457,6457,6457,6457,6457,DB07421,"4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile",DrugBank,drug,[H][C@](O)(NC1=CC(=C(C=C1)C#N)C(F)(F)F)[C@@](C)(O)COC1=CC=C(C=C1)[N+]([O-])=O,DRUG_6457
6458,6458,6458,6458,6458,6458,6458,6458,DB08843,GS 0573,DrugBank,drug,NC1=NC(N)=C2N=CN(CCOCP(O)(O)=O)C2=N1,DRUG_6458
6459,6459,6459,6459,6459,6459,6459,6459,DB13496,Iprindole,DrugBank,drug,CN(C)CCCN1C2=C(CCCCCC2)C2=CC=CC=C12,DRUG_6459
6460,6460,6460,6460,6460,6460,6460,6460,DB18632,"1-(3-fluoro-4-(7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydro-1H-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea",DrugBank,drug,CC1=CNC(=N1)C1=CC=C(C2=C1C(=O)NC2)C1=CC=C(NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C=C1F,DRUG_6460
6461,6461,6461,6461,6461,6461,6461,6461,DB14542,Hydrocortisone phosphate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_6461
6462,6462,6462,6462,6462,6462,6462,6462,DB08596,5'-deoxy-5'-piperidin-1-ylthymidine,DrugBank,drug,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CN1CCCCC1)N1C=C(C)C(=O)NC1=O,DRUG_6462
6463,6463,6463,6463,6463,6463,6463,6463,DB03876,"Thieno[2,3-B]Pyridine-2-Carboxamidine",DrugBank,drug,NC(=[NH2+])C1=CC2=C(S1)N=CC=C2,DRUG_6463
6464,6464,6464,6464,6464,6464,6464,6464,DB08188,Emivirine,DrugBank,drug,CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC=CC=C1,DRUG_6464
6465,6465,6465,6465,6465,6465,6465,6465,DB13876,Brofaromine,DrugBank,drug,COC1=CC2=C(OC(=C2)C2CCNCC2)C(Br)=C1,DRUG_6465
6466,6466,6466,6466,6466,6466,6466,6466,DB09279,Fimasartan,DrugBank,drug,CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1,DRUG_6466
6467,6467,6467,6467,6467,6467,6467,6467,DB12734,Demcizumab,DrugBank,drug,,DRUG_6467
6468,6468,6468,6468,6468,6468,6468,6468,DB05938,Edonerpic,DrugBank,drug,OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1,DRUG_6468
6469,6469,6469,6469,6469,6469,6469,6469,DB11942,Selinexor,DrugBank,drug,FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F,DRUG_6469
6470,6470,6470,6470,6470,6470,6470,6470,DB02181,2'-Deoxyguanosine-5'-Triphosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,DRUG_6470
6471,6471,6471,6471,6471,6471,6471,6471,DB03934,Zinc protoporphyrin,DrugBank,drug,[Zn++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C=C)C(C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C)=C4C=C)/C(C)=C3CCC(O)=O,DRUG_6471
6472,6472,6472,6472,6472,6472,6472,6472,DB13229,Enibomal,DrugBank,drug,CC(C)C1(CC(Br)=C)C(=O)NC(=O)N(C)C1=O,DRUG_6472
6473,6473,6473,6473,6473,6473,6473,6473,DB07179,"3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide",DrugBank,drug,CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1,DRUG_6473
6474,6474,6474,6474,6474,6474,6474,6474,DB12584,Bimagrumab,DrugBank,drug,,DRUG_6474
6475,6475,6475,6475,6475,6475,6475,6475,DB14127,Sacubitrilat,DrugBank,drug,C[C@H](C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O)C(O)=O,DRUG_6475
6476,6476,6476,6476,6476,6476,6476,6476,DB05804,Prasterone sulfate,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OS(O)(=O)=O,DRUG_6476
6477,6477,6477,6477,6477,6477,6477,6477,DB13544,Ethenzamide,DrugBank,drug,CCOC1=C(C=CC=C1)C(N)=O,DRUG_6477
6478,6478,6478,6478,6478,6478,6478,6478,DB01140,Cefadroxil,DrugBank,drug,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,DRUG_6478
6479,6479,6479,6479,6479,6479,6479,6479,DB13201,Trenonacog alfa,DrugBank,drug,,DRUG_6479
6480,6480,6480,6480,6480,6480,6480,6480,DB06736,Aceclofenac,DrugBank,drug,OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,DRUG_6480
6481,6481,6481,6481,6481,6481,6481,6481,DB13728,Halometasone,DrugBank,drug,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,DRUG_6481
6482,6482,6482,6482,6482,6482,6482,6482,DB11511,Difloxacin,DrugBank,drug,CN1CCN(CC1)C1=C(F)C=C2C(=C1)N(C=C(C(O)=O)C2=O)C1=CC=C(F)C=C1,DRUG_6482
6483,6483,6483,6483,6483,6483,6483,6483,DB01132,Pioglitazone,DrugBank,drug,CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,DRUG_6483
6484,6484,6484,6484,6484,6484,6484,6484,DB08898,Glucarpidase,DrugBank,drug,,DRUG_6484
6485,6485,6485,6485,6485,6485,6485,6485,DB05166,APD668,DrugBank,drug,,DRUG_6485
6486,6486,6486,6486,6486,6486,6486,6486,DB03179,Sinapoyl coenzyme A,DrugBank,drug,COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)C2(O)[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)C2(C)C)=CC(OC)=C1O,DRUG_6486
6487,6487,6487,6487,6487,6487,6487,6487,DB01082,Streptomycin,DrugBank,drug,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O,DRUG_6487
6488,6488,6488,6488,6488,6488,6488,6488,DB13783,Acemetacin,DrugBank,drug,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)OCC(O)=O,DRUG_6488
6489,6489,6489,6489,6489,6489,6489,6489,DB11132,Silicon dioxide,DrugBank,drug,O=[Si]=O,DRUG_6489
6490,6490,6490,6490,6490,6490,6490,6490,DB08936,Chlorcyclizine,DrugBank,drug,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_6490
6491,6491,6491,6491,6491,6491,6491,6491,DB08277,"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE",DrugBank,drug,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O,DRUG_6491
6492,6492,6492,6492,6492,6492,6492,6492,DB07730,"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE",DrugBank,drug,OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O,DRUG_6492
6493,6493,6493,6493,6493,6493,6493,6493,DB00056,Gemtuzumab ozogamicin,DrugBank,drug,,DRUG_6493
6494,6494,6494,6494,6494,6494,6494,6494,DB00006,Bivalirudin,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O,DRUG_6494
6495,6495,6495,6495,6495,6495,6495,6495,DB12272,Vidupiprant,DrugBank,drug,CC(C)(C)NC(=O)C1=CC=C(OC2=CC(F)=C(CC(O)=O)C=C2Cl)C(NS(=O)(=O)C2=CC=C(C=C2Cl)C2CC2)=C1,DRUG_6495
6496,6496,6496,6496,6496,6496,6496,6496,DB08063,"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE",DrugBank,drug,COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1,DRUG_6496
6497,6497,6497,6497,6497,6497,6497,6497,DB03344,"Inositol-(1,3,4,5,6)-Pentakisphosphate",DrugBank,drug,[H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O,DRUG_6497
6498,6498,6498,6498,6498,6498,6498,6498,DB01795,Phenylboronic acid,DrugBank,drug,OB(O)C1=CC=CC=C1,DRUG_6498
6499,6499,6499,6499,6499,6499,6499,6499,DB07056,"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide",DrugBank,drug,CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1,DRUG_6499
6500,6500,6500,6500,6500,6500,6500,6500,DB06871,17-METHYL-17-ALPHA-DIHYDROEQUILENIN,DrugBank,drug,[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12,DRUG_6500
6501,6501,6501,6501,6501,6501,6501,6501,DB14061,Hycanthone,DrugBank,drug,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1,DRUG_6501
6502,6502,6502,6502,6502,6502,6502,6502,DB01144,Diclofenamide,DrugBank,drug,NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O,DRUG_6502
6503,6503,6503,6503,6503,6503,6503,6503,DB07756,"1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL",DrugBank,drug,CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1,DRUG_6503
6504,6504,6504,6504,6504,6504,6504,6504,DB06272,Maxacalcitol,DrugBank,drug,[H]\C(\C(\[H])=C1/CCC[C@@]2(C)[C@@]1([H])CC[C@]2([H])[C@]([H])(C)OCCC(C)(C)O)=C1/C[C@@]([H])(O)C[C@]([H])(O)C1=C,DRUG_6504
6505,6505,6505,6505,6505,6505,6505,6505,DB11467,Thiostrepton,DrugBank,drug,[H]\C(C)=C1/N=C(O)C(N=C(O)C2=CSC(=N2)C23CCC(=NC2C2=CSC(=N2)C(N=C(O)C2=CSC(=N2)C(N=C(O)C2CSC1=N2)C(C)(O)C(C)O)C(C)OC(=O)C1=NC2=C(C=CC(NC(C(C)CC)C(O)=NC(C)C(O)=NC(=C)C(O)=NC(C)C(O)=N3)C2O)C(=C1)C(C)O)C1=NC(=CS1)C(O)=NC(=C)C(O)=NC(=C)C(O)=N)C(C)O,DRUG_6505
6506,6506,6506,6506,6506,6506,6506,6506,DB03195,3'-Fluoro-3'-deoxythymidine 5'-monophosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](F)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,DRUG_6506
6507,6507,6507,6507,6507,6507,6507,6507,DB08756,Y-27632,DrugBank,drug,[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N,DRUG_6507
6508,6508,6508,6508,6508,6508,6508,6508,DB05656,Veltuzumab,DrugBank,drug,,DRUG_6508
6509,6509,6509,6509,6509,6509,6509,6509,DB15059,Aprocitentan,DrugBank,drug,NS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1,DRUG_6509
6510,6510,6510,6510,6510,6510,6510,6510,DB11867,JNJ-39393406,DrugBank,drug,CN(C)C(=O)CCN1N=C(NC2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC=NC=C1,DRUG_6510
6511,6511,6511,6511,6511,6511,6511,6511,DB03559,Cyclohexylformamide,DrugBank,drug,[H]C(=O)NC1CCCCC1,DRUG_6511
6512,6512,6512,6512,6512,6512,6512,6512,DB01763,7-thionicotinamide-adenine-dinucleotide phosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,DRUG_6512
6513,6513,6513,6513,6513,6513,6513,6513,DB00150,Tryptophan,DrugBank,drug,N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,DRUG_6513
6514,6514,6514,6514,6514,6514,6514,6514,DB01268,Sunitinib,DrugBank,drug,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C,DRUG_6514
6515,6515,6515,6515,6515,6515,6515,6515,DB15225,Mitazalimab,DrugBank,drug,,DRUG_6515
6516,6516,6516,6516,6516,6516,6516,6516,DB01212,Ceftriaxone,DrugBank,drug,[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_6516
6517,6517,6517,6517,6517,6517,6517,6517,DB03135,[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid,DrugBank,drug,ON(CCP(O)(O)=O)C=O,DRUG_6517
6518,6518,6518,6518,6518,6518,6518,6518,DB00670,Pirenzepine,DrugBank,drug,CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1,DRUG_6518
6519,6519,6519,6519,6519,6519,6519,6519,DB03837,Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide,DrugBank,drug,C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1,DRUG_6519
6520,6520,6520,6520,6520,6520,6520,6520,DB13327,Picotamide,DrugBank,drug,COC1=CC=C(C=C1C(=O)NCC1=CC=CN=C1)C(=O)NCC1=CC=CN=C1,DRUG_6520
6521,6521,6521,6521,6521,6521,6521,6521,DB07922,N-oxo-2-(phenylsulfonylamino)ethanamide,DrugBank,drug,O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1,DRUG_6521
6522,6522,6522,6522,6522,6522,6522,6522,DB15431,M-2698,DrugBank,drug,NC(=O)C1=CC=CC2=C1N=CN=C2N[C@H](CN1CCC1)C1=CC(=C(Cl)C=C1)C(F)(F)F,DRUG_6522
6523,6523,6523,6523,6523,6523,6523,6523,DB14792,AZD-5991,DrugBank,drug,CN1N=C2CSCC3=NN(C)C(CSC4=CC5=C(C=CC=C5)C(OCCCC5=C(N(C)C6=C5C=CC(Cl)=C6C2=C1C)C(O)=O)=C4)=C3,DRUG_6523
6524,6524,6524,6524,6524,6524,6524,6524,DB16220,Lonapegsomatropin,DrugBank,drug,,DRUG_6524
6525,6525,6525,6525,6525,6525,6525,6525,DB12314,Chlorproguanil,DrugBank,drug,CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C(Cl)=C1,DRUG_6525
6526,6526,6526,6526,6526,6526,6526,6526,DB08617,"4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE",DrugBank,drug,[H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O,DRUG_6526
6527,6527,6527,6527,6527,6527,6527,6527,DB08345,"4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DrugBank,drug,N#CC1=C2N=C(NC3=CC=CC=C3)N=C(NCCC3=CN=CN3)N2N=C1,DRUG_6527
6528,6528,6528,6528,6528,6528,6528,6528,DB01681,Benzene Hexacarboxylic Acid,DrugBank,drug,OC(=O)C1=C(C(O)=O)C(C(O)=O)=C(C(O)=O)C(C(O)=O)=C1C(O)=O,DRUG_6528
6529,6529,6529,6529,6529,6529,6529,6529,DB02153,3-sulfino-L-alanine,DrugBank,drug,N[C@@H](C[S@@](O)=O)C(O)=O,DRUG_6529
6530,6530,6530,6530,6530,6530,6530,6530,DB07218,"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE",DrugBank,drug,CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O,DRUG_6530
6531,6531,6531,6531,6531,6531,6531,6531,DB02943,N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine,DrugBank,drug,[H]N([H])CCCC(=O)N([H])[C@@H](CSCC1=CC=C(OC)C=C1)C(=O)N([H])CC(O)=O,DRUG_6531
6532,6532,6532,6532,6532,6532,6532,6532,DB03447,Uridylyl-2'-5'-phospho-adenosine,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N4C=CC(=O)NC4=O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_6532
6533,6533,6533,6533,6533,6533,6533,6533,DB06163,Plevitrexed,DrugBank,drug,CC1=NC(=O)C2=CC(CN(CC#C)C3=CC=C(C(=O)N[C@@H](CCC4=NN=NN4)C(O)=O)C(F)=C3)=C(C)C=C2N1,DRUG_6533
6534,6534,6534,6534,6534,6534,6534,6534,DB12744,CGI-1842,DrugBank,drug,COC1=CC=C(Br)C=C1NC(=O)NC1=C2C=CN(CC3=CC=NC(N)=C3)C2=CC=C1,DRUG_6534
6535,6535,6535,6535,6535,6535,6535,6535,DB15770,Cosibelimab,DrugBank,drug,,DRUG_6535
6536,6536,6536,6536,6536,6536,6536,6536,DB11153,Potassium hydroxide,DrugBank,drug,[OH-].[K+],DRUG_6536
6537,6537,6537,6537,6537,6537,6537,6537,DB05967,ANZ-100,DrugBank,drug,,DRUG_6537
6538,6538,6538,6538,6538,6538,6538,6538,DB05235,NRP409,DrugBank,drug,,DRUG_6538
6539,6539,6539,6539,6539,6539,6539,6539,DB05875,"Sar9, Met (O2)11-Substance P",DrugBank,drug,CC(C)C[C@H](NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O,DRUG_6539
6540,6540,6540,6540,6540,6540,6540,6540,DB12604,Sisomicin,DrugBank,drug,[H][C@@]1(N)CC=C(CN)O[C@]1([H])O[C@]1([H])[C@@]([H])(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])OC[C@](C)(O)[C@]([H])(NC)[C@@]2([H])O)[C@@]1([H])O,DRUG_6540
6541,6541,6541,6541,6541,6541,6541,6541,DB01261,Sitagliptin,DrugBank,drug,N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,DRUG_6541
6542,6542,6542,6542,6542,6542,6542,6542,DB11475,Tylosin,DrugBank,drug,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,DRUG_6542
6543,6543,6543,6543,6543,6543,6543,6543,DB02547,Guanosine-5'-Diphosphate-Rhamnose,DrugBank,drug,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O,DRUG_6543
6544,6544,6544,6544,6544,6544,6544,6544,DB08635,N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID,DrugBank,drug,CN(CCCCC(O)=O)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1,DRUG_6544
6545,6545,6545,6545,6545,6545,6545,6545,DB07815,Gibberellin A4,DrugBank,drug,[H][C@@]12C[C@]3(CC1=C)[C@@H](C(O)=O)[C@]1([H])[C@@]4(C)[C@@H](O)CC[C@@]1(OC4=O)[C@]3([H])CC2,DRUG_6545
6546,6546,6546,6546,6546,6546,6546,6546,DB15428,Vesencumab,DrugBank,drug,,DRUG_6546
6547,6547,6547,6547,6547,6547,6547,6547,DB06775,Carglumic acid,DrugBank,drug,NC(=O)N[C@@H](CCC(O)=O)C(O)=O,DRUG_6547
6548,6548,6548,6548,6548,6548,6548,6548,DB09227,Barnidipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1,DRUG_6548
6549,6549,6549,6549,6549,6549,6549,6549,DB14919,Rozanolixizumab,DrugBank,drug,,DRUG_6549
6550,6550,6550,6550,6550,6550,6550,6550,DB11371,Alfaxalone,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C(=O)C[C@]12C)C(C)=O,DRUG_6550
6551,6551,6551,6551,6551,6551,6551,6551,DB13219,Medifoxamine,DrugBank,drug,CN(C)CC(OC1=CC=CC=C1)OC1=CC=CC=C1,DRUG_6551
6552,6552,6552,6552,6552,6552,6552,6552,DB06413,Armodafinil,DrugBank,drug,NC(=O)C[S@@](=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6552
6553,6553,6553,6553,6553,6553,6553,6553,DB14846,Bimiralisib,DrugBank,drug,NC1=NC=C(C2=NC(=NC(=N2)N2CCOCC2)N2CCOCC2)C(=C1)C(F)(F)F,DRUG_6553
6554,6554,6554,6554,6554,6554,6554,6554,DB00213,Pantoprazole,DrugBank,drug,COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,DRUG_6554
6555,6555,6555,6555,6555,6555,6555,6555,DB00822,Disulfiram,DrugBank,drug,CCN(CC)C(=S)SSC(=S)N(CC)CC,DRUG_6555
6556,6556,6556,6556,6556,6556,6556,6556,DB07506,L-BENZYLSUCCINIC ACID,DrugBank,drug,[H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O,DRUG_6556
6557,6557,6557,6557,6557,6557,6557,6557,DB14109,alpha-Arbutin,DrugBank,drug,OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_6557
6558,6558,6558,6558,6558,6558,6558,6558,DB09206,Trimazosin,DrugBank,drug,COC1=CC2=C(N=C(N=C2N)N2CCN(CC2)C(=O)OCC(C)(C)O)C(OC)=C1OC,DRUG_6558
6559,6559,6559,6559,6559,6559,6559,6559,DB14020,Benzoin,DrugBank,drug,OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6559
6560,6560,6560,6560,6560,6560,6560,6560,DB00634,Sulfacetamide,DrugBank,drug,CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,DRUG_6560
6561,6561,6561,6561,6561,6561,6561,6561,DB07838,(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE,DrugBank,drug,OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O,DRUG_6561
6562,6562,6562,6562,6562,6562,6562,6562,DB17449,Anacaulase,DrugBank,drug,,DRUG_6562
6563,6563,6563,6563,6563,6563,6563,6563,DB13588,Naftidrofuryl,DrugBank,drug,CCN(CC)CCOC(=O)C(CC1CCCO1)CC1=CC=CC2=C1C=CC=C2,DRUG_6563
6564,6564,6564,6564,6564,6564,6564,6564,DB11813,Mipsagargin,DrugBank,drug,CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=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)C(O)=O,DRUG_6564
6565,6565,6565,6565,6565,6565,6565,6565,DB05740,RPI-78M,DrugBank,drug,,DRUG_6565
6566,6566,6566,6566,6566,6566,6566,6566,DB02352,3-(Benzyloxy)Pyridin-2-Amine,DrugBank,drug,NC1=NC=CC=C1OCC1=CC=CC=C1,DRUG_6566
6567,6567,6567,6567,6567,6567,6567,6567,DB06677,Clazosentan,DrugBank,drug,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1,DRUG_6567
6568,6568,6568,6568,6568,6568,6568,6568,DB00780,Phenelzine,DrugBank,drug,NNCCC1=CC=CC=C1,DRUG_6568
6569,6569,6569,6569,6569,6569,6569,6569,DB01545,Ethyl loflazepate,DrugBank,drug,CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2,DRUG_6569
6570,6570,6570,6570,6570,6570,6570,6570,DB01922,"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam",DrugBank,drug,[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])[C@@]([H])(CO)N=C(NO)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_6570
6571,6571,6571,6571,6571,6571,6571,6571,DB08134,4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1,DRUG_6571
6572,6572,6572,6572,6572,6572,6572,6572,DB05087,Ganaxolone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C,DRUG_6572
6573,6573,6573,6573,6573,6573,6573,6573,DB13247,Pramiracetam,DrugBank,drug,CC(C)N(CCNC(=O)CN1CCCC1=O)C(C)C,DRUG_6573
6574,6574,6574,6574,6574,6574,6574,6574,DB08575,"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM",DrugBank,drug,[H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2,DRUG_6574
6575,6575,6575,6575,6575,6575,6575,6575,DB11851,Bafetinib,DrugBank,drug,CN(C)[C@H]1CCN(CC2=C(C=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CN=C3)=C2)C(F)(F)F)C1,DRUG_6575
6576,6576,6576,6576,6576,6576,6576,6576,DB11869,Valspodar,DrugBank,drug,C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C,DRUG_6576
6577,6577,6577,6577,6577,6577,6577,6577,DB14866,Amcasertib,DrugBank,drug,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(C=C23)C2=CSC(=N2)C2=CC=CC=C2)=C1C,DRUG_6577
6578,6578,6578,6578,6578,6578,6578,6578,DB04932,Defibrotide,DrugBank,drug,,DRUG_6578
6579,6579,6579,6579,6579,6579,6579,6579,DB08516,(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE],DrugBank,drug,[H][C@@](C)(\N=C\C1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,DRUG_6579
6580,6580,6580,6580,6580,6580,6580,6580,DB11529,Melengestrol,DrugBank,drug,[H][C@@]12CC(=C)[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,DRUG_6580
6581,6581,6581,6581,6581,6581,6581,6581,DB05505,NM-702,DrugBank,drug,,DRUG_6581
6582,6582,6582,6582,6582,6582,6582,6582,DB12505,E-7820,DrugBank,drug,CC1=C2C(=CNC2=C(NS(=O)(=O)C2=CC=CC(=C2)C#N)C=C1)C#N,DRUG_6582
6583,6583,6583,6583,6583,6583,6583,6583,DB15133,Tepotinib,DrugBank,drug,CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1,DRUG_6583
6584,6584,6584,6584,6584,6584,6584,6584,DB16768,Lavendustin A,DrugBank,drug,OC(=O)C1=C(O)C=CC(=C1)N(CC1=CC=CC=C1O)CC1=CC(O)=CC=C1O,DRUG_6584
6585,6585,6585,6585,6585,6585,6585,6585,DB01588,Prazepam,DrugBank,drug,ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1,DRUG_6585
6586,6586,6586,6586,6586,6586,6586,6586,DB08324,N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE,DrugBank,drug,[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC,DRUG_6586
6587,6587,6587,6587,6587,6587,6587,6587,DB11431,Moxidectin,DrugBank,drug,[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,DRUG_6587
6588,6588,6588,6588,6588,6588,6588,6588,DB01164,Calcium chloride,DrugBank,drug,[Cl-].[Cl-].[Ca++],DRUG_6588
6589,6589,6589,6589,6589,6589,6589,6589,DB12255,Vadadustat,DrugBank,drug,OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1,DRUG_6589
6590,6590,6590,6590,6590,6590,6590,6590,DB03814,2-(N-morpholino)ethanesulfonic acid,DrugBank,drug,OS(=O)(=O)CCN1CCOCC1,DRUG_6590
6591,6591,6591,6591,6591,6591,6591,6591,DB03924,"5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone",DrugBank,drug,NC1=CC=C(N)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,DRUG_6591
6592,6592,6592,6592,6592,6592,6592,6592,DB11481,Atipamezole,DrugBank,drug,CCC1(CC2=CC=CC=C2C1)C1=CN=CN1,DRUG_6592
6593,6593,6593,6593,6593,6593,6593,6593,DB01902,"1-Ethyl-Pyrrolidine-2,5-Dione",DrugBank,drug,CCN1C(=O)CCC1=O,DRUG_6593
6594,6594,6594,6594,6594,6594,6594,6594,DB01429,Aprindine,DrugBank,drug,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1,DRUG_6594
6595,6595,6595,6595,6595,6595,6595,6595,DB13073,Tregalizumab,DrugBank,drug,,DRUG_6595
6596,6596,6596,6596,6596,6596,6596,6596,DB12051,Setrobuvir,DrugBank,drug,CS(=O)(=O)NC1=CC=C2NC(=NS(=O)(=O)C2=C1)C1=C(O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2N(CC2=CC=C(F)C=C2)C1=O,DRUG_6596
6597,6597,6597,6597,6597,6597,6597,6597,DB05468,R411,DrugBank,drug,,DRUG_6597
6598,6598,6598,6598,6598,6598,6598,6598,DB07171,"5-(2-hydroxyethyl)nonane-1,9-diol",DrugBank,drug,OCCCCC(CCO)CCCCO,DRUG_6598
6599,6599,6599,6599,6599,6599,6599,6599,DB12413,Indusatumab vedotin,DrugBank,drug,,DRUG_6599
6600,6600,6600,6600,6600,6600,6600,6600,DB15595,"Ebola Zaire vaccine (live, attenuated)",DrugBank,drug,,DRUG_6600
6601,6601,6601,6601,6601,6601,6601,6601,DB13453,Xenon,DrugBank,drug,[Xe],DRUG_6601
6602,6602,6602,6602,6602,6602,6602,6602,DB01556,Chlorphentermine,DrugBank,drug,CC(C)(N)CC1=CC=C(Cl)C=C1,DRUG_6602
6603,6603,6603,6603,6603,6603,6603,6603,DB05454,Paliroden,DrugBank,drug,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC=C(C=C2)C2=CC=CC=C2)CC1,DRUG_6603
6604,6604,6604,6604,6604,6604,6604,6604,DB15044,Tafasitamab,DrugBank,drug,,DRUG_6604
6605,6605,6605,6605,6605,6605,6605,6605,DB01200,Bromocriptine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C,DRUG_6605
6606,6606,6606,6606,6606,6606,6606,6606,DB08906,Fluticasone furoate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_6606
6607,6607,6607,6607,6607,6607,6607,6607,DB01541,Boldenone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_6607
6608,6608,6608,6608,6608,6608,6608,6608,DB01958,"5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine",DrugBank,drug,CC(C)(C)C1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,DRUG_6608
6609,6609,6609,6609,6609,6609,6609,6609,DB07905,Hypothemycin,DrugBank,drug,[H]\C1=C([H])\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2C2=C(C(O)=CC(OC)=C2)C(=O)O[C@@H](C)C1,DRUG_6609
6610,6610,6610,6610,6610,6610,6610,6610,DB06719,Buserelin,DrugBank,drug,,DRUG_6610
6611,6611,6611,6611,6611,6611,6611,6611,DB06354,Tezampanel,DrugBank,drug,[H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O,DRUG_6611
6612,6612,6612,6612,6612,6612,6612,6612,DB17882,Epitalon,DrugBank,drug,C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O,DRUG_6612
6613,6613,6613,6613,6613,6613,6613,6613,DB13720,Diphemanil,DrugBank,drug,C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6613
6614,6614,6614,6614,6614,6614,6614,6614,DB11574,Elbasvir,DrugBank,drug,[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=NC=C(N1)C1=CC2=C(C=C1)N1[C@@H](OC3=C(C=CC(=C3)C3=CN=C(N3)[C@]3([H])CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C1=C2)C1=CC=CC=C1,DRUG_6614
6615,6615,6615,6615,6615,6615,6615,6615,DB00906,Tiagabine,DrugBank,drug,CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1,DRUG_6615
6616,6616,6616,6616,6616,6616,6616,6616,DB12821,Perflubutane,DrugBank,drug,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,DRUG_6616
6617,6617,6617,6617,6617,6617,6617,6617,DB12566,Decernotinib,DrugBank,drug,CC[C@@](C)(NC1=CC=NC(=N1)C1=CNC2=NC=CC=C12)C(=O)NCC(F)(F)F,DRUG_6617
6618,6618,6618,6618,6618,6618,6618,6618,DB00171,ATP,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_6618
6619,6619,6619,6619,6619,6619,6619,6619,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",DrugBank,drug,C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H]2OC[C@@H](O2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O,DRUG_6619
6620,6620,6620,6620,6620,6620,6620,6620,DB07384,1-ACETYL-2-CARBOXYPIPERIDINE,DrugBank,drug,[H][C@]1(CCCCN1C(C)=O)C(O)=O,DRUG_6620
6621,6621,6621,6621,6621,6621,6621,6621,DB12500,Fedratinib,DrugBank,drug,CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C,DRUG_6621
6622,6622,6622,6622,6622,6622,6622,6622,DB02090,A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor,DrugBank,drug,[H][C@@](CCCO)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@@]1([H])CCCCN(CCOC)C1=O,DRUG_6622
6623,6623,6623,6623,6623,6623,6623,6623,DB03332,"5,6-Cyclic-Tetrahydropteridine",DrugBank,drug,NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1,DRUG_6623
6624,6624,6624,6624,6624,6624,6624,6624,DB00149,Leucine,DrugBank,drug,CC(C)C[C@H](N)C(O)=O,DRUG_6624
6625,6625,6625,6625,6625,6625,6625,6625,DB07450,(R)-minalrestat,DrugBank,drug,[H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1,DRUG_6625
6626,6626,6626,6626,6626,6626,6626,6626,DB02162,5'-O-(N-Ethyl-Sulfamoyl)Adenosine,DrugBank,drug,[H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_6626
6627,6627,6627,6627,6627,6627,6627,6627,DB06117,"1alpha,24S-Dihydroxyvitamin D2",DrugBank,drug,CC(C)[C@](C)(O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,DRUG_6627
6628,6628,6628,6628,6628,6628,6628,6628,DB06869,1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE,DrugBank,drug,[H][C@@](N)(C1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=C(OCC(=O)NCC)C=CC(Cl)=C1,DRUG_6628
6629,6629,6629,6629,6629,6629,6629,6629,DB12708,Sulprostone,DrugBank,drug,CS(=O)(=O)NC(=O)CCC\C=C/C[C@@H]1[C@@H](\C=C\[C@@H](O)COC2=CC=CC=C2)[C@H](O)CC1=O,DRUG_6629
6630,6630,6630,6630,6630,6630,6630,6630,DB02800,"5-hydroxymethyl-5,6-dihydrofolic acid",DrugBank,drug,NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1,DRUG_6630
6631,6631,6631,6631,6631,6631,6631,6631,DB00656,Trazodone,DrugBank,drug,ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1,DRUG_6631
6632,6632,6632,6632,6632,6632,6632,6632,DB13233,Alaproclate,DrugBank,drug,CC(N)C(=O)OC(C)(C)CC1=CC=C(Cl)C=C1,DRUG_6632
6633,6633,6633,6633,6633,6633,6633,6633,DB13180,Gluconic Acid,DrugBank,drug,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,DRUG_6633
6634,6634,6634,6634,6634,6634,6634,6634,DB07498,"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID",DrugBank,drug,OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O,DRUG_6634
6635,6635,6635,6635,6635,6635,6635,6635,DB09340,Tyropanoic acid,DrugBank,drug,CCCC(=O)NC1=C(I)C=C(I)C(CC(CC)C(O)=O)=C1I,DRUG_6635
6636,6636,6636,6636,6636,6636,6636,6636,DB19255,Gingerol,DrugBank,drug,CCCCC[C@H](O)CC(=O)CCC1=CC=C(O)C(OC)=C1,DRUG_6636
6637,6637,6637,6637,6637,6637,6637,6637,DB12890,Dihydrexidine,DrugBank,drug,OC1=C(O)C=C2[C@H]3[C@H](CCC2=C1)NCC1=CC=CC=C31,DRUG_6637
6638,6638,6638,6638,6638,6638,6638,6638,DB00464,Sodium tetradecyl sulfate,DrugBank,drug,[Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O,DRUG_6638
6639,6639,6639,6639,6639,6639,6639,6639,DB12318,BMS-599626,DrugBank,drug,CC1=C2N(C=C1NC(=O)OC[C@@H]1COCCN1)N=CN=C2NC1=CC=C2N(CC3=CC=CC(F)=C3)N=CC2=C1,DRUG_6639
6640,6640,6640,6640,6640,6640,6640,6640,DB07589,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE",DrugBank,drug,[H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,DRUG_6640
6641,6641,6641,6641,6641,6641,6641,6641,DB08330,METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE,DrugBank,drug,CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1,DRUG_6641
6642,6642,6642,6642,6642,6642,6642,6642,DB08066,N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE,DrugBank,drug,O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1,DRUG_6642
6643,6643,6643,6643,6643,6643,6643,6643,DB13168,Omega-6 fatty acids,DrugBank,drug,,DRUG_6643
6644,6644,6644,6644,6644,6644,6644,6644,DB08538,"N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F,DRUG_6644
6645,6645,6645,6645,6645,6645,6645,6645,DB06374,Elacestrant,DrugBank,drug,CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1,DRUG_6645
6646,6646,6646,6646,6646,6646,6646,6646,DB05255,Ronacaleret,DrugBank,drug,CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F,DRUG_6646
6647,6647,6647,6647,6647,6647,6647,6647,DB03925,Freselestat,DrugBank,drug,CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C,DRUG_6647
6648,6648,6648,6648,6648,6648,6648,6648,DB13122,Trabodenoson,DrugBank,drug,O[C@@H]1[C@@H](CO[N+]([O-])=O)O[C@H]([C@@H]1O)N1C=NC2=C(NC3CCCC3)N=CN=C12,DRUG_6648
6649,6649,6649,6649,6649,6649,6649,6649,DB05724,alpha-Conotoxin VC 1.1,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2,DRUG_6649
6650,6650,6650,6650,6650,6650,6650,6650,DB00007,Leuprolide,DrugBank,drug,,DRUG_6650
6651,6651,6651,6651,6651,6651,6651,6651,DB08033,"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",DrugBank,drug,[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2,DRUG_6651
6652,6652,6652,6652,6652,6652,6652,6652,DB13459,Pecilocin,DrugBank,drug,CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O,DRUG_6652
6653,6653,6653,6653,6653,6653,6653,6653,DB09173,Butyrfentanyl,DrugBank,drug,CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_6653
6654,6654,6654,6654,6654,6654,6654,6654,DB00228,Enflurane,DrugBank,drug,FC(F)OC(F)(F)C(F)Cl,DRUG_6654
6655,6655,6655,6655,6655,6655,6655,6655,DB04417,P-Nitrophenol,DrugBank,drug,OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_6655
6656,6656,6656,6656,6656,6656,6656,6656,DB13072,GDC-0349,DrugBank,drug,CCNC(=O)NC1=CC=C(C=C1)C1=NC2=C(CCN(C2)C2COC2)C(=N1)N1CCOC[C@@H]1C,DRUG_6656
6657,6657,6657,6657,6657,6657,6657,6657,DB08751,"N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE",DrugBank,drug,CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O,DRUG_6657
6658,6658,6658,6658,6658,6658,6658,6658,DB02300,Calcipotriol,DrugBank,drug,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1,DRUG_6658
6659,6659,6659,6659,6659,6659,6659,6659,DB09449,"Sodium phosphate, monobasic",DrugBank,drug,[Na+].OP(O)([O-])=O,DRUG_6659
6660,6660,6660,6660,6660,6660,6660,6660,DB12451,SCY-635,DrugBank,drug,CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C,DRUG_6660
6661,6661,6661,6661,6661,6661,6661,6661,DB05127,ANA971,DrugBank,drug,,DRUG_6661
6662,6662,6662,6662,6662,6662,6662,6662,DB05386,Regramostim,DrugBank,drug,,DRUG_6662
6663,6663,6663,6663,6663,6663,6663,6663,DB09298,Silibinin,DrugBank,drug,[H][C@@]1(OC2=C(O[C@@H]1CO)C=CC(=C2)[C@@]1([H])OC2=C(C(O)=CC(O)=C2)C(=O)[C@@H]1O)C1=CC(OC)=C(O)C=C1,DRUG_6663
6664,6664,6664,6664,6664,6664,6664,6664,DB02902,3'-phospho-5'-adenylyl sulfate,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,DRUG_6664
6665,6665,6665,6665,6665,6665,6665,6665,DB03672,9-N-Phenylmethylamino-Tacrine,DrugBank,drug,C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1,DRUG_6665
6666,6666,6666,6666,6666,6666,6666,6666,DB17024,Chelerythrine,DrugBank,drug,COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C1OC,DRUG_6666
6667,6667,6667,6667,6667,6667,6667,6667,DB07962,"METHYL N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINATE",DrugBank,drug,COC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1,DRUG_6667
6668,6668,6668,6668,6668,6668,6668,6668,DB07842,(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O,DRUG_6668
6669,6669,6669,6669,6669,6669,6669,6669,DB07973,N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE,DrugBank,drug,COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1,DRUG_6669
6670,6670,6670,6670,6670,6670,6670,6670,DB01840,2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate,DrugBank,drug,OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\P(O)(O)=O,DRUG_6670
6671,6671,6671,6671,6671,6671,6671,6671,DB00905,Bimatoprost,DrugBank,drug,CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1,DRUG_6671
6672,6672,6672,6672,6672,6672,6672,6672,DB12024,PF-04418948,DrugBank,drug,COC1=CC=C2C=C(OCC3(CN(C3)C(=O)C3=CC=C(F)C=C3)C(O)=O)C=CC2=C1,DRUG_6672
6673,6673,6673,6673,6673,6673,6673,6673,DB02091,"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine",DrugBank,drug,CC1=NC(C)=C(S1)C1=NC(N)=NC=C1,DRUG_6673
6674,6674,6674,6674,6674,6674,6674,6674,DB00242,Cladribine,DrugBank,drug,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1,DRUG_6674
6675,6675,6675,6675,6675,6675,6675,6675,DB14545,Hydrocortisone succinate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_6675
6676,6676,6676,6676,6676,6676,6676,6676,DB01222,Budesonide,DrugBank,drug,[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_6676
6677,6677,6677,6677,6677,6677,6677,6677,DB14074,Icaridin,DrugBank,drug,CCC(C)OC(=O)N1CCCCC1CCO,DRUG_6677
6678,6678,6678,6678,6678,6678,6678,6678,DB03109,2-acetylamino-2-deoxy-b-D-allopyranose,DrugBank,drug,[H]N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O)C(C)=O,DRUG_6678
6679,6679,6679,6679,6679,6679,6679,6679,DB13120,Deferitazole,DrugBank,drug,COCCOCCOCCOC1=C(O)C(=CC=C1)C1=N[C@](C)(CS1)C(O)=O,DRUG_6679
6680,6680,6680,6680,6680,6680,6680,6680,DB02512,"1,6-Fructose Diphosphate (Linear Form)",DrugBank,drug,O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O,DRUG_6680
6681,6681,6681,6681,6681,6681,6681,6681,DB12631,Aclerastide,DrugBank,drug,[H]N([C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(O)=O)C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O,DRUG_6681
6682,6682,6682,6682,6682,6682,6682,6682,DB05012,XEN-2174,DrugBank,drug,,DRUG_6682
6683,6683,6683,6683,6683,6683,6683,6683,DB12009,GW-406381,DrugBank,drug,CCOC1=CC=C(C=C1)C1=NN2N=CC=CC2=C1C1=CC=C(C=C1)S(C)(=O)=O,DRUG_6683
6684,6684,6684,6684,6684,6684,6684,6684,DB06861,6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE,DrugBank,drug,[H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O,DRUG_6684
6685,6685,6685,6685,6685,6685,6685,6685,DB05072,AV608,DrugBank,drug,,DRUG_6685
6686,6686,6686,6686,6686,6686,6686,6686,DB12211,PSI-697,DrugBank,drug,OC(=O)C1=C2C=CC3=C(CCCC3)C2=NC(CC2=CC=C(Cl)C=C2)=C1O,DRUG_6686
6687,6687,6687,6687,6687,6687,6687,6687,DB12742,Amuvatinib,DrugBank,drug,S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1,DRUG_6687
6688,6688,6688,6688,6688,6688,6688,6688,DB06423,Endostatin,DrugBank,drug,,DRUG_6688
6689,6689,6689,6689,6689,6689,6689,6689,DB09142,Sincalide,DrugBank,drug,,DRUG_6689
6690,6690,6690,6690,6690,6690,6690,6690,DB13171,Glyceryl 1-oleate,DrugBank,drug,[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCC(O)CO,DRUG_6690
6691,6691,6691,6691,6691,6691,6691,6691,DB14981,Phytic acid,DrugBank,drug,OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=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,DRUG_6691
6692,6692,6692,6692,6692,6692,6692,6692,DB12094,Semapimod,DrugBank,drug,C\C(=N/NC(N)=N)C1=CC(=CC(NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)C(\C)=N\NC(N)=N)C(\C)=N\NC(N)=N)=C1)C(\C)=N\NC(N)=N,DRUG_6692
6693,6693,6693,6693,6693,6693,6693,6693,DB11688,2-chloroethyl-3-sarcosinamide-1-nitrosourea,DrugBank,drug,CN(CC(N)=O)C(=O)N(CCCl)N=O,DRUG_6693
6694,6694,6694,6694,6694,6694,6694,6694,DB14864,Brolucizumab,DrugBank,drug,,DRUG_6694
6695,6695,6695,6695,6695,6695,6695,6695,DB04622,N-acetylhistamine,DrugBank,drug,CC(=O)NCCC1=CNC=N1,DRUG_6695
6696,6696,6696,6696,6696,6696,6696,6696,DB07022,3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate,DrugBank,drug,NC(=N)C1=CC2=C(NC(=O)C3=CC=CC(=C3)S(=O)(=O)OCCCO)C=CC=C2C=C1,DRUG_6696
6697,6697,6697,6697,6697,6697,6697,6697,DB00375,Colestipol,DrugBank,drug,,DRUG_6697
6698,6698,6698,6698,6698,6698,6698,6698,DB04489,Guanidinoethylmercaptosuccinic acid,DrugBank,drug,[H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H],DRUG_6698
6699,6699,6699,6699,6699,6699,6699,6699,DB03542,L-Myo-Inositol-1-Phosphate,DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O,DRUG_6699
6700,6700,6700,6700,6700,6700,6700,6700,DB12163,Sarpogrelate,DrugBank,drug,COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1,DRUG_6700
6701,6701,6701,6701,6701,6701,6701,6701,DB07240,3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid,DrugBank,drug,OC(=O)CCON=C1C2=C(C=CC=C2)C2=C1C=CC=C2,DRUG_6701
6702,6702,6702,6702,6702,6702,6702,6702,DB12693,Ritanserin,DrugBank,drug,CC1=C(CCN2CCC(CC2)=C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(=O)N2C=CSC2=N1,DRUG_6702
6703,6703,6703,6703,6703,6703,6703,6703,DB04720,"S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",DrugBank,drug,CSC1=NC2=C(N1)C(Br)=C(Br)C(Br)=C2Br,DRUG_6703
6704,6704,6704,6704,6704,6704,6704,6704,DB11855,Revefenacin,DrugBank,drug,CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1,DRUG_6704
6705,6705,6705,6705,6705,6705,6705,6705,DB03034,D-Levofloxacin,DrugBank,drug,C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O,DRUG_6705
6706,6706,6706,6706,6706,6706,6706,6706,DB00832,Phensuximide,DrugBank,drug,CN1C(=O)CC(C1=O)C1=CC=CC=C1,DRUG_6706
6707,6707,6707,6707,6707,6707,6707,6707,DB06654,Safinamide,DrugBank,drug,C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,DRUG_6707
6708,6708,6708,6708,6708,6708,6708,6708,DB02465,Methoxy arachidonyl fluorophosphonate,DrugBank,drug,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC,DRUG_6708
6709,6709,6709,6709,6709,6709,6709,6709,DB06655,Liraglutide,DrugBank,drug,,DRUG_6709
6710,6710,6710,6710,6710,6710,6710,6710,DB06321,R-348,DrugBank,drug,CCC(=O)NS(=O)(=O)C1=CC(NC2=NC=C(F)C(NC3=CC=C(OCC#C)C=C3)=N2)=CC=C1C,DRUG_6710
6711,6711,6711,6711,6711,6711,6711,6711,DB09459,L-tartaric acid,DrugBank,drug,O[C@H]([C@@H](O)C(O)=O)C(O)=O,DRUG_6711
6712,6712,6712,6712,6712,6712,6712,6712,DB14489,Ferrous succinate,DrugBank,drug,[Fe++].[O-]C(=O)CCC([O-])=O,DRUG_6712
6713,6713,6713,6713,6713,6713,6713,6713,DB12958,Prothipendyl,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2SC2=C1N=CC=C2,DRUG_6713
6714,6714,6714,6714,6714,6714,6714,6714,DB00385,Valrubicin,DrugBank,drug,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(OC)C=CC=C1C3=O)C(=O)COC(=O)CCCC)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1,DRUG_6714
6715,6715,6715,6715,6715,6715,6715,6715,DB00777,Propiomazine,DrugBank,drug,CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1,DRUG_6715
6716,6716,6716,6716,6716,6716,6716,6716,DB17837,DS-1211,DrugBank,drug,CC(C)C[C@@H](NC(C)=O)C(O)=O,DRUG_6716
6717,6717,6717,6717,6717,6717,6717,6717,DB01821,"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide",DrugBank,drug,NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O,DRUG_6717
6718,6718,6718,6718,6718,6718,6718,6718,DB06335,Saxagliptin,DrugBank,drug,[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,DRUG_6718
6719,6719,6719,6719,6719,6719,6719,6719,DB07538,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,DRUG_6719
6720,6720,6720,6720,6720,6720,6720,6720,DB04579,"N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine",DrugBank,drug,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O,DRUG_6720
6721,6721,6721,6721,6721,6721,6721,6721,DB12109,Devimistat,DrugBank,drug,OC(=O)CCCCC(CCSCC1=CC=CC=C1)SCC1=CC=CC=C1,DRUG_6721
6722,6722,6722,6722,6722,6722,6722,6722,DB04824,Phenolphthalein,DrugBank,drug,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1,DRUG_6722
6723,6723,6723,6723,6723,6723,6723,6723,DB09071,Tasimelteon,DrugBank,drug,CCC(=O)NC[C@@H]1C[C@H]1C1=CC=CC2=C1CCO2,DRUG_6723
6724,6724,6724,6724,6724,6724,6724,6724,DB17149,Berubicin,DrugBank,drug,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O)C(=O)CO)O[C@H]1C[C@H](N)[C@H](OCC2=CC=CC=C2)[C@H](C)O1,DRUG_6724
6725,6725,6725,6725,6725,6725,6725,6725,DB02898,(5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone,DrugBank,drug,NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1,DRUG_6725
6726,6726,6726,6726,6726,6726,6726,6726,DB11164,Bicisate,DrugBank,drug,CCOC(=O)[C@H](CS)NCCN[C@@H](CS)C(=O)OCC,DRUG_6726
6727,6727,6727,6727,6727,6727,6727,6727,DB03221,AL7099A,DrugBank,drug,CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_6727
6728,6728,6728,6728,6728,6728,6728,6728,DB01489,Camazepam,DrugBank,drug,CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O,DRUG_6728
6729,6729,6729,6729,6729,6729,6729,6729,DB16956,L-Acetylleucine,DrugBank,drug,CC(C)C[C@H](NC(C)=O)C(O)=O,DRUG_6729
6730,6730,6730,6730,6730,6730,6730,6730,DB00629,Guanabenz,DrugBank,drug,NC(N)=NN=CC1=C(Cl)C=CC=C1Cl,DRUG_6730
6731,6731,6731,6731,6731,6731,6731,6731,DB02048,"1,2,4-Triazole-Carboxamidine",DrugBank,drug,NC(=[NH2+])N1C=NC=N1,DRUG_6731
6732,6732,6732,6732,6732,6732,6732,6732,DB11870,RG-4733,DrugBank,drug,CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1C2=CC=CC=C2C2=CC=CC=C2NC1=O,DRUG_6732
6733,6733,6733,6733,6733,6733,6733,6733,DB13893,Crotalus adamanteus antivenin,DrugBank,drug,,DRUG_6733
6734,6734,6734,6734,6734,6734,6734,6734,DB09210,Piracetam,DrugBank,drug,NC(=O)CN1CCCC1=O,DRUG_6734
6735,6735,6735,6735,6735,6735,6735,6735,DB04106,Fotemustine,DrugBank,drug,CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O,DRUG_6735
6736,6736,6736,6736,6736,6736,6736,6736,DB00404,Alprazolam,DrugBank,drug,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,DRUG_6736
6737,6737,6737,6737,6737,6737,6737,6737,DB11850,Ublituximab,DrugBank,drug,,DRUG_6737
6738,6738,6738,6738,6738,6738,6738,6738,DB06766,Alcaftadine,DrugBank,drug,CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12,DRUG_6738
6739,6739,6739,6739,6739,6739,6739,6739,DB12235,Estetrol,DrugBank,drug,[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H],DRUG_6739
6740,6740,6740,6740,6740,6740,6740,6740,DB11221,Dioxybenzone,DrugBank,drug,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O,DRUG_6740
6741,6741,6741,6741,6741,6741,6741,6741,DB01669,Virginiamycin M1,DrugBank,drug,CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(=N2)CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C,DRUG_6741
6742,6742,6742,6742,6742,6742,6742,6742,DB05479,CZEN 002,DrugBank,drug,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,DRUG_6742
6743,6743,6743,6743,6743,6743,6743,6743,DB08925,Adrafinil,DrugBank,drug,ONC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6743
6744,6744,6744,6744,6744,6744,6744,6744,DB12745,GSK-690693,DrugBank,drug,[H][C@]1(COC2=C3N(CC)C(=NC3=C(N=C2)C#CC(C)(C)O)C2=NON=C2N)CCCNC1,DRUG_6744
6745,6745,6745,6745,6745,6745,6745,6745,DB00095,Efalizumab,DrugBank,drug,,DRUG_6745
6746,6746,6746,6746,6746,6746,6746,6746,DB14409,Human adenovirus e serotype 4 strain cl-68578 antigen,DrugBank,drug,,DRUG_6746
6747,6747,6747,6747,6747,6747,6747,6747,DB01296,Glucosamine,DrugBank,drug,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_6747
6748,6748,6748,6748,6748,6748,6748,6748,DB01983,2(S)-Amino-6-Boronohexanoic Acid,DrugBank,drug,N[C@@H](CCCC[B-](O)(O)O)C(O)=O,DRUG_6748
6749,6749,6749,6749,6749,6749,6749,6749,DB03660,4-Iodo-L-phenylalanine,DrugBank,drug,[H][C@](N)(CC1=CC=C(I)C=C1)C(O)=O,DRUG_6749
6750,6750,6750,6750,6750,6750,6750,6750,DB13707,Sodium tartrate,DrugBank,drug,[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O,DRUG_6750
6751,6751,6751,6751,6751,6751,6751,6751,DB13275,Clorindione,DrugBank,drug,ClC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,DRUG_6751
6752,6752,6752,6752,6752,6752,6752,6752,DB02562,"Quinonoid 7,8-Tetrahydrobiopterin",DrugBank,drug,[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O,DRUG_6752
6753,6753,6753,6753,6753,6753,6753,6753,DB13004,Mavoglurant,DrugBank,drug,COC(=O)N1CC[C@@H]2[C@H]1CCC[C@@]2(O)C#CC1=CC(C)=CC=C1,DRUG_6753
6754,6754,6754,6754,6754,6754,6754,6754,DB15033,Flortaucipir,DrugBank,drug,FC1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1,DRUG_6754
6755,6755,6755,6755,6755,6755,6755,6755,DB13114,Amitriptylinoxide,DrugBank,drug,CN(C)(=O)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_6755
6756,6756,6756,6756,6756,6756,6756,6756,DB03864,Monothioglycerol,DrugBank,drug,OC[C@@H](O)CS,DRUG_6756
6757,6757,6757,6757,6757,6757,6757,6757,DB15157,Voruciclib,DrugBank,drug,CN1CC[C@H]([C@@H]1CO)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=C(C=C1Cl)C(F)(F)F,DRUG_6757
6758,6758,6758,6758,6758,6758,6758,6758,DB06715,Potassium Iodide,DrugBank,drug,[K+].[I-],DRUG_6758
6759,6759,6759,6759,6759,6759,6759,6759,DB00486,Nabilone,DrugBank,drug,[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC,DRUG_6759
6760,6760,6760,6760,6760,6760,6760,6760,DB14914,Flortaucipir F-18,DrugBank,drug,[18F]C1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1,DRUG_6760
6761,6761,6761,6761,6761,6761,6761,6761,DB12558,AEE-788,DrugBank,drug,CCN1CCN(CC2=CC=C(C=C2)C2=CC3=C(N2)N=CN=C3N[C@H](C)C2=CC=CC=C2)CC1,DRUG_6761
6762,6762,6762,6762,6762,6762,6762,6762,DB06917,(4-fluorophenyl)(pyridin-4-yl)methanone,DrugBank,drug,FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1,DRUG_6762
6763,6763,6763,6763,6763,6763,6763,6763,DB04311,4-Phenylbutylamine,DrugBank,drug,NCCCCC1=CC=CC=C1,DRUG_6763
6764,6764,6764,6764,6764,6764,6764,6764,DB05141,LY2181308,DrugBank,drug,,DRUG_6764
6765,6765,6765,6765,6765,6765,6765,6765,DB04954,Tecadenoson,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H]3CCOC3)N=CN=C12,DRUG_6765
6766,6766,6766,6766,6766,6766,6766,6766,DB06154,Pentaerythritol tetranitrate,DrugBank,drug,[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,DRUG_6766
6767,6767,6767,6767,6767,6767,6767,6767,DB12445,Nitroaspirin,DrugBank,drug,CC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1,DRUG_6767
6768,6768,6768,6768,6768,6768,6768,6768,DB07689,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",DrugBank,drug,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)N=C3N)C=C1,DRUG_6768
6769,6769,6769,6769,6769,6769,6769,6769,DB08736,"S,R-Warfarin alcohol",DrugBank,drug,[H]C(C)(O)C[C@@]([H])(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,DRUG_6769
6770,6770,6770,6770,6770,6770,6770,6770,DB00028,Human immunoglobulin G,DrugBank,drug,,DRUG_6770
6771,6771,6771,6771,6771,6771,6771,6771,DB03093,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",DrugBank,drug,COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1,DRUG_6771
6772,6772,6772,6772,6772,6772,6772,6772,DB00714,Apomorphine,DrugBank,drug,[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23,DRUG_6772
6773,6773,6773,6773,6773,6773,6773,6773,DB05361,SR-123781A,DrugBank,drug,,DRUG_6773
6774,6774,6774,6774,6774,6774,6774,6774,DB13141,Ambroxol acefyllinate,DrugBank,drug,CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.NC1=C(Br)C=C(Br)C=C1CN[C@H]1CC[C@H](O)CC1,DRUG_6774
6775,6775,6775,6775,6775,6775,6775,6775,DB00626,Bacitracin,DrugBank,drug,CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC,DRUG_6775
6776,6776,6776,6776,6776,6776,6776,6776,DB12229,Cerlapirdine,DrugBank,drug,CN(C)CCCOC1=CC=C2NN=C(C2=C1)S(=O)(=O)C1=C2C=CC=CC2=CC=C1,DRUG_6776
6777,6777,6777,6777,6777,6777,6777,6777,DB06831,2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE,DrugBank,drug,COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1,DRUG_6777
6778,6778,6778,6778,6778,6778,6778,6778,DB08840,N-methylnicotinamide,DrugBank,drug,CNC(=O)C1=CN=CC=C1,DRUG_6778
6779,6779,6779,6779,6779,6779,6779,6779,DB13994,AZD-7325,DrugBank,drug,CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC,DRUG_6779
6780,6780,6780,6780,6780,6780,6780,6780,DB08639,Dapivirine,DrugBank,drug,CC1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1,DRUG_6780
6781,6781,6781,6781,6781,6781,6781,6781,DB07999,"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID",DrugBank,drug,OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1,DRUG_6781
6782,6782,6782,6782,6782,6782,6782,6782,DB01206,Lomustine,DrugBank,drug,ClCCN(N=O)C(=O)NC1CCCCC1,DRUG_6782
6783,6783,6783,6783,6783,6783,6783,6783,DB03708,Adenosine 5'-phosphosulfate,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,DRUG_6783
6784,6784,6784,6784,6784,6784,6784,6784,DB02772,Sucrose,DrugBank,drug,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,DRUG_6784
6785,6785,6785,6785,6785,6785,6785,6785,DB11074,Dimethicone,DrugBank,drug,,DRUG_6785
6786,6786,6786,6786,6786,6786,6786,6786,DB04588,"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,DRUG_6786
6787,6787,6787,6787,6787,6787,6787,6787,DB08353,"2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DrugBank,drug,N#CC1=C2N=C(NCC3CCCCC3)N=C(NC3=CC=CC=C3)N2N=C1,DRUG_6787
6788,6788,6788,6788,6788,6788,6788,6788,DB07210,"3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1,DRUG_6788
6789,6789,6789,6789,6789,6789,6789,6789,DB12515,9-aminocamptothecin,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(N)C1=C3)C2=O,DRUG_6789
6790,6790,6790,6790,6790,6790,6790,6790,DB00184,Nicotine,DrugBank,drug,CN1CCC[C@H]1C1=CN=CC=C1,DRUG_6790
6791,6791,6791,6791,6791,6791,6791,6791,DB01193,Acebutolol,DrugBank,drug,CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O,DRUG_6791
6792,6792,6792,6792,6792,6792,6792,6792,DB12917,Bimekizumab,DrugBank,drug,,DRUG_6792
6793,6793,6793,6793,6793,6793,6793,6793,DB01764,Dalfopristin,DrugBank,drug,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)\C=C\C(=O)NC\C=C\C(\C)=C\[C@@H](O)CC(=O)CC1=NC(=CO1)C2=O,DRUG_6793
6794,6794,6794,6794,6794,6794,6794,6794,DB03819,Salicylhydroxamic Acid,DrugBank,drug,ONC(=O)C1=CC=CC=C1O,DRUG_6794
6795,6795,6795,6795,6795,6795,6795,6795,DB06271,Sulodexide,DrugBank,drug,,DRUG_6795
6796,6796,6796,6796,6796,6796,6796,6796,DB04224,Oleic Acid,DrugBank,drug,CCCCCCCC\C=C\CCCCCCCC(O)=O,DRUG_6796
6797,6797,6797,6797,6797,6797,6797,6797,DB02530,gamma-Aminobutyric acid,DrugBank,drug,NCCCC(O)=O,DRUG_6797
6798,6798,6798,6798,6798,6798,6798,6798,DB11450,Pimobendan,DrugBank,drug,COC1=CC=C(C=C1)C1=NC2=CC(=CC=C2N1)C1=NNC(=O)CC1C,DRUG_6798
6799,6799,6799,6799,6799,6799,6799,6799,DB05521,Telaprevir,DrugBank,drug,[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1,DRUG_6799
6800,6800,6800,6800,6800,6800,6800,6800,DB00843,Donepezil,DrugBank,drug,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,DRUG_6800
6801,6801,6801,6801,6801,6801,6801,6801,DB00074,Basiliximab,DrugBank,drug,,DRUG_6801
6802,6802,6802,6802,6802,6802,6802,6802,DB12644,AZD-2066,DrugBank,drug,C[C@@H](OC1=NN=C(N1C)C1=CC=NC=C1)C1=NOC(=C1)C1=CC(Cl)=CC=C1,DRUG_6802
6803,6803,6803,6803,6803,6803,6803,6803,DB14337,Salvia miltiorrhiza root,DrugBank,drug,,DRUG_6803
6804,6804,6804,6804,6804,6804,6804,6804,DB18313,Cinnamic acid,DrugBank,drug,OC(=O)\C=C\C1=CC=CC=C1,DRUG_6804
6805,6805,6805,6805,6805,6805,6805,6805,DB11808,Faldaprevir,DrugBank,drug,COC1=C(Br)C2=C(C=C1)C(O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(O)=O)=CC(=N2)C1=CSC(NC(=O)C(C)C)=N1,DRUG_6805
6806,6806,6806,6806,6806,6806,6806,6806,DB09029,Secukinumab,DrugBank,drug,,DRUG_6806
6807,6807,6807,6807,6807,6807,6807,6807,DB09000,Cyamemazine,DrugBank,drug,CC(CN(C)C)CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C#N,DRUG_6807
6808,6808,6808,6808,6808,6808,6808,6808,DB05077,SLV319,DrugBank,drug,,DRUG_6808
6809,6809,6809,6809,6809,6809,6809,6809,DB03531,Flavin-adenine dinucleotide-N5-isobutyl ketone,DrugBank,drug,CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2,DRUG_6809
6810,6810,6810,6810,6810,6810,6810,6810,DB09235,Efonidipine,DrugBank,drug,CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1,DRUG_6810
6811,6811,6811,6811,6811,6811,6811,6811,DB08326,"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE",DrugBank,drug,OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1,DRUG_6811
6812,6812,6812,6812,6812,6812,6812,6812,DB11642,Pitolisant,DrugBank,drug,ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1,DRUG_6812
6813,6813,6813,6813,6813,6813,6813,6813,DB02261,Platelet Activating Factor,DrugBank,drug,CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,DRUG_6813
6814,6814,6814,6814,6814,6814,6814,6814,DB04977,Plitidepsin,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](CC1=CC=C(OC)C=C1)N(C)C2=O)[C@@H](C)CC)C(C)C,DRUG_6814
6815,6815,6815,6815,6815,6815,6815,6815,DB11737,Icotinib,DrugBank,drug,C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1,DRUG_6815
6816,6816,6816,6816,6816,6816,6816,6816,DB01007,Tioconazole,DrugBank,drug,ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1,DRUG_6816
6817,6817,6817,6817,6817,6817,6817,6817,DB03852,Eucalyptol,DrugBank,drug,C[C@@]12CC[C@@H](CC1)C(C)(C)O2,DRUG_6817
6818,6818,6818,6818,6818,6818,6818,6818,DB00738,Pentamidine,DrugBank,drug,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,DRUG_6818
6819,6819,6819,6819,6819,6819,6819,6819,DB15215,KRN-5500,DrugBank,drug,CCCCCCCCC\C=C\C=C\C(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](NC2=C3N=CNC3=NC=N2)O[C@H]1[C@@H](O)CO,DRUG_6819
6820,6820,6820,6820,6820,6820,6820,6820,DB01535,Carfentanil,DrugBank,drug,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC,DRUG_6820
6821,6821,6821,6821,6821,6821,6821,6821,DB18950,Caricotamide,DrugBank,drug,NC(=O)CN1C=CCC(=C1)C(N)=O,DRUG_6821
6822,6822,6822,6822,6822,6822,6822,6822,DB16771,Phlorizin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=C(C(=O)CCC3=CC=C(O)C=C3)C(O)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_6822
6823,6823,6823,6823,6823,6823,6823,6823,DB07329,1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID,DrugBank,drug,OC(=O)CCCCN(CC1=CC=C(C=C1)[N+]([O-])=O)CP(O)(O)=O,DRUG_6823
6824,6824,6824,6824,6824,6824,6824,6824,DB13208,Prednylidene,DrugBank,drug,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO,DRUG_6824
6825,6825,6825,6825,6825,6825,6825,6825,DB00020,Sargramostim,DrugBank,drug,,DRUG_6825
6826,6826,6826,6826,6826,6826,6826,6826,DB06475,Ruplizumab,DrugBank,drug,,DRUG_6826
6827,6827,6827,6827,6827,6827,6827,6827,DB00090,Laronidase,DrugBank,drug,,DRUG_6827
6828,6828,6828,6828,6828,6828,6828,6828,DB04894,Vapreotide,DrugBank,drug,,DRUG_6828
6829,6829,6829,6829,6829,6829,6829,6829,DB09221,Polaprezinc,DrugBank,drug,NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1,DRUG_6829
6830,6830,6830,6830,6830,6830,6830,6830,DB08080,Latrunculin B,DrugBank,drug,[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1,DRUG_6830
6831,6831,6831,6831,6831,6831,6831,6831,DB11641,Vinflunine,DrugBank,drug,CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC,DRUG_6831
6832,6832,6832,6832,6832,6832,6832,6832,DB05934,CTCE-0214,DrugBank,drug,,DRUG_6832
6833,6833,6833,6833,6833,6833,6833,6833,DB04396,Thiodigalactoside,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,DRUG_6833
6834,6834,6834,6834,6834,6834,6834,6834,DB10365,Sorghum halepense pollen,DrugBank,drug,,DRUG_6834
6835,6835,6835,6835,6835,6835,6835,6835,DB13943,Testosterone cypionate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_6835
6836,6836,6836,6836,6836,6836,6836,6836,DB06160,Garenoxacin,DrugBank,drug,C[C@H]1NCC2=CC(=CC=C12)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1OC(F)F)C(O)=O,DRUG_6836
6837,6837,6837,6837,6837,6837,6837,6837,DB13533,Methylestrenolone,DrugBank,drug,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,DRUG_6837
6838,6838,6838,6838,6838,6838,6838,6838,DB00399,Zoledronic acid,DrugBank,drug,OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_6838
6839,6839,6839,6839,6839,6839,6839,6839,DB00318,Codeine,DrugBank,drug,[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC,DRUG_6839
6840,6840,6840,6840,6840,6840,6840,6840,DB06834,"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide",DrugBank,drug,CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO,DRUG_6840
6841,6841,6841,6841,6841,6841,6841,6841,DB13878,Pibrentasvir,DrugBank,drug,CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C1=NC2=C(N1)C=C(F)C(=C2)[C@H]1CC[C@@H](N1C1=CC(F)=C(N2CCC(CC2)C2=CC=C(F)C=C2)C(F)=C1)C1=CC2=C(NC(=N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C=C1F,DRUG_6841
6842,6842,6842,6842,6842,6842,6842,6842,DB00089,Capromab pendetide,DrugBank,drug,,DRUG_6842
6843,6843,6843,6843,6843,6843,6843,6843,DB11959,Crenezumab,DrugBank,drug,,DRUG_6843
6844,6844,6844,6844,6844,6844,6844,6844,DB02008,1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,DrugBank,drug,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O,DRUG_6844
6845,6845,6845,6845,6845,6845,6845,6845,DB09042,Tedizolid phosphate,DrugBank,drug,CN1N=NC(=N1)C1=CC=C(C=N1)C1=CC=C(C=C1F)N1C[C@H](COP(O)(O)=O)OC1=O,DRUG_6845
6846,6846,6846,6846,6846,6846,6846,6846,DB00847,Cysteamine,DrugBank,drug,NCCS,DRUG_6846
6847,6847,6847,6847,6847,6847,6847,6847,DB14700,Damoctocog alfa pegol,DrugBank,drug,,DRUG_6847
6848,6848,6848,6848,6848,6848,6848,6848,DB02095,Isatin,DrugBank,drug,O=C1NC2=CC=CC=C2C1=O,DRUG_6848
6849,6849,6849,6849,6849,6849,6849,6849,DB07970,5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide,DrugBank,drug,CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,DRUG_6849
6850,6850,6850,6850,6850,6850,6850,6850,DB06920,Eribaxaban,DrugBank,drug,[H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC,DRUG_6850
6851,6851,6851,6851,6851,6851,6851,6851,DB04202,Isoformononetin,DrugBank,drug,COC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(O)C=C1,DRUG_6851
6852,6852,6852,6852,6852,6852,6852,6852,DB12951,Pivagabine,DrugBank,drug,CC(C)(C)C(=O)NCCCC(O)=O,DRUG_6852
6853,6853,6853,6853,6853,6853,6853,6853,DB00637,Astemizole,DrugBank,drug,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1,DRUG_6853
6854,6854,6854,6854,6854,6854,6854,6854,DB08839,Serotonin,DrugBank,drug,NCCC1=CNC2=CC=C(O)C=C12,DRUG_6854
6855,6855,6855,6855,6855,6855,6855,6855,DB04448,"2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene",DrugBank,drug,OCC1=CC=C(F)C=C1F,DRUG_6855
6856,6856,6856,6856,6856,6856,6856,6856,DB06280,Senicapoc,DrugBank,drug,NC(=O)C(C1=CC=CC=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1,DRUG_6856
6857,6857,6857,6857,6857,6857,6857,6857,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",DrugBank,drug,[H][C@]1(C)SC(=O)NN=C1C1=CC2=C(C=C1)N(CCC2)C(=O)C1=CC(OC)=C(OC)C=C1,DRUG_6857
6858,6858,6858,6858,6858,6858,6858,6858,DB01623,Thiothixene,DrugBank,drug,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1,DRUG_6858
6859,6859,6859,6859,6859,6859,6859,6859,DB05395,Amibegron,DrugBank,drug,[H][C@](O)(CN[C@@]1([H])CCC2=C(C1)C=C(OCC(=O)OCC)C=C2)C1=CC(Cl)=CC=C1,DRUG_6859
6860,6860,6860,6860,6860,6860,6860,6860,DB02855,N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline,DrugBank,drug,[H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC,DRUG_6860
6861,6861,6861,6861,6861,6861,6861,6861,DB03100,6-Nitroindazole,DrugBank,drug,O=N(=O)C1=CC2=NNC=C2C=C1,DRUG_6861
6862,6862,6862,6862,6862,6862,6862,6862,DB01023,Felodipine,DrugBank,drug,CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC,DRUG_6862
6863,6863,6863,6863,6863,6863,6863,6863,DB12967,Mitoguazone,DrugBank,drug,C\C(\C=N\N=C(N)N)=N/N=C(N)N,DRUG_6863
6864,6864,6864,6864,6864,6864,6864,6864,DB06268,Sitaxentan,DrugBank,drug,CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl,DRUG_6864
6865,6865,6865,6865,6865,6865,6865,6865,DB07423,Andarine,DrugBank,drug,CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC=C(C(=C2)C(F)(F)F)[N+]([O-])=O)C=C1,DRUG_6865
6866,6866,6866,6866,6866,6866,6866,6866,DB05812,Abiraterone,DrugBank,drug,[H][C@@]12CC=C(C3=CC=CN=C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,DRUG_6866
6867,6867,6867,6867,6867,6867,6867,6867,DB01214,Metipranolol,DrugBank,drug,CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1,DRUG_6867
6868,6868,6868,6868,6868,6868,6868,6868,DB01915,S-Hydroxycysteine,DrugBank,drug,N[C@@H](CSO)C(O)=O,DRUG_6868
6869,6869,6869,6869,6869,6869,6869,6869,DB12875,Mavatrep,DrugBank,drug,CC(C)(O)C1=CC=CC=C1C1=CC=C2N=C(NC2=C1)\C=C\C1=CC=C(C=C1)C(F)(F)F,DRUG_6869
6870,6870,6870,6870,6870,6870,6870,6870,DB04343,Glyoxylic acid,DrugBank,drug,OC(=O)C=O,DRUG_6870
6871,6871,6871,6871,6871,6871,6871,6871,DB00836,Loperamide,DrugBank,drug,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6871
6872,6872,6872,6872,6872,6872,6872,6872,DB09374,Indocyanine green acid form,DrugBank,drug,CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS([O-])(=O)=O)C3=CC=C4C=CC=CC4=C3C2(C)C)N(CCCCS(O)(=O)=O)C2=CC=C3C=CC=CC3=C12,DRUG_6872
6873,6873,6873,6873,6873,6873,6873,6873,DB01440,gamma-Hydroxybutyric acid,DrugBank,drug,OCCCC(O)=O,DRUG_6873
6874,6874,6874,6874,6874,6874,6874,6874,DB01216,Finasteride,DrugBank,drug,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C,DRUG_6874
6875,6875,6875,6875,6875,6875,6875,6875,DB13583,Mephenesin,DrugBank,drug,CC1=CC=CC=C1OCC(O)CO,DRUG_6875
6876,6876,6876,6876,6876,6876,6876,6876,DB18716,Enmetazobactam,DrugBank,drug,[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)[C@](C)(CN1C=C[N+](C)=N1)S2(=O)=O,DRUG_6876
6877,6877,6877,6877,6877,6877,6877,6877,DB07996,5-(2-methylpiperazine-1-sulfonyl)isoquinoline,DrugBank,drug,CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1,DRUG_6877
6878,6878,6878,6878,6878,6878,6878,6878,DB14980,AZD-6482,DrugBank,drug,C[C@@H](NC1=CC=CC=C1C(O)=O)C1=CC(C)=CN2C(=O)C=C(N=C12)N1CCOCC1,DRUG_6878
6879,6879,6879,6879,6879,6879,6879,6879,DB12540,Lecozotan,DrugBank,drug,C[C@H](CN(C(=O)C1=CC=C(C=C1)C#N)C1=CC=CC=N1)N1CCN(CC1)C1=CC=CC2=C1OCCO2,DRUG_6879
6880,6880,6880,6880,6880,6880,6880,6880,DB16047,Elraglusib,DrugBank,drug,CN1C=C(C2=C1C=C1OCOC1=C2)C1=C(C(=O)NC1=O)C1=COC2=CC=C(F)C=C12,DRUG_6880
6881,6881,6881,6881,6881,6881,6881,6881,DB04109,"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine",DrugBank,drug,NC(=[NH2+])C1=CC=C(COB2OCCO2)C=C1,DRUG_6881
6882,6882,6882,6882,6882,6882,6882,6882,DB02074,Butenoic Acid,DrugBank,drug,C\C=C\C(O)=O,DRUG_6882
6883,6883,6883,6883,6883,6883,6883,6883,DB06555,Siramesine,DrugBank,drug,FC1=CC=C(C=C1)N1C=C(CCCCN2CCC3(CC2)OCC2=CC=CC=C32)C2=CC=CC=C12,DRUG_6883
6884,6884,6884,6884,6884,6884,6884,6884,DB13064,Tramazoline,DrugBank,drug,C1CN=C(NC2=CC=CC3=C2CCCC3)N1,DRUG_6884
6885,6885,6885,6885,6885,6885,6885,6885,DB11121,Chloroxylenol,DrugBank,drug,CC1=CC(O)=CC(C)=C1Cl,DRUG_6885
6886,6886,6886,6886,6886,6886,6886,6886,DB00107,Oxytocin,DrugBank,drug,,DRUG_6886
6887,6887,6887,6887,6887,6887,6887,6887,DB11823,Esketamine,DrugBank,drug,CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl,DRUG_6887
6888,6888,6888,6888,6888,6888,6888,6888,DB16028,Azemiglitazone,DrugBank,drug,COC1=CC=CC(=C1)C(=O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1,DRUG_6888
6889,6889,6889,6889,6889,6889,6889,6889,DB06290,Simeprevir,DrugBank,drug,[H][C@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)OC1=CC(=NC2=C1C=CC(OC)=C2C)C1=NC(=CS1)C(C)C)C(=O)NS(=O)(=O)C1CC1,DRUG_6889
6890,6890,6890,6890,6890,6890,6890,6890,DB07741,"4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE",DrugBank,drug,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)N)[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)[C@]([H])(C(F)F)[C@@]21[H],DRUG_6890
6891,6891,6891,6891,6891,6891,6891,6891,DB01253,Ergometrine,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO,DRUG_6891
6892,6892,6892,6892,6892,6892,6892,6892,DB04657,Carboxin,DrugBank,drug,CC1=C(SCCO1)C(=O)NC1=CC=CC=C1,DRUG_6892
6893,6893,6893,6893,6893,6893,6893,6893,DB07917,4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE,DrugBank,drug,C(CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=NN=NN1,DRUG_6893
6894,6894,6894,6894,6894,6894,6894,6894,DB07546,[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid,DrugBank,drug,CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1,DRUG_6894
6895,6895,6895,6895,6895,6895,6895,6895,DB00962,Zaleplon,DrugBank,drug,CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N,DRUG_6895
6896,6896,6896,6896,6896,6896,6896,6896,DB13388,Phenylmercuric nitrate,DrugBank,drug,[O-][N+](=O)O[Hg]C1=CC=CC=C1,DRUG_6896
6897,6897,6897,6897,6897,6897,6897,6897,DB12244,CP-601927,DrugBank,drug,FC(F)(F)C1=CC2=C(C=C1)[C@H]1C[C@@H]2CNC1,DRUG_6897
6898,6898,6898,6898,6898,6898,6898,6898,DB01003,Cromoglicic acid,DrugBank,drug,OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O,DRUG_6898
6899,6899,6899,6899,6899,6899,6899,6899,DB00355,Aztreonam,DrugBank,drug,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O,DRUG_6899
6900,6900,6900,6900,6900,6900,6900,6900,DB02640,Fumagillin,DrugBank,drug,CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O,DRUG_6900
6901,6901,6901,6901,6901,6901,6901,6901,DB06022,GlycoPEG-GCSF,DrugBank,drug,,DRUG_6901
6902,6902,6902,6902,6902,6902,6902,6902,DB12731,Daporinad,DrugBank,drug,O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1,DRUG_6902
6903,6903,6903,6903,6903,6903,6903,6903,DB13509,Aloxiprin,DrugBank,drug,[O--].[O--].[O--].[Al+3].[Al+3].CC(=O)OC1=CC=CC=C1C(O)=O,DRUG_6903
6904,6904,6904,6904,6904,6904,6904,6904,DB06346,Fiboflapon,DrugBank,drug,CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1,DRUG_6904
6905,6905,6905,6905,6905,6905,6905,6905,DB12543,Samidorphan,DrugBank,drug,NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O,DRUG_6905
6906,6906,6906,6906,6906,6906,6906,6906,DB09421,Protirelin,DrugBank,drug,[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O,DRUG_6906
6907,6907,6907,6907,6907,6907,6907,6907,DB00676,Benzyl benzoate,DrugBank,drug,O=C(OCC1=CC=CC=C1)C1=CC=CC=C1,DRUG_6907
6908,6908,6908,6908,6908,6908,6908,6908,DB00082,Pegvisomant,DrugBank,drug,,DRUG_6908
6909,6909,6909,6909,6909,6909,6909,6909,DB13844,Pipenzolate,DrugBank,drug,CC[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6909
6910,6910,6910,6910,6910,6910,6910,6910,DB03240,"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid",DrugBank,drug,N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O,DRUG_6910
6911,6911,6911,6911,6911,6911,6911,6911,DB00559,Bosentan,DrugBank,drug,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1,DRUG_6911
6912,6912,6912,6912,6912,6912,6912,6912,DB15498,BOS172722,DrugBank,drug,CCOC1=CC(=CC=C1NC1=NC=C2C=C(C)N=C(NCC(C)(C)C)C2=N1)C1=NN=CN1C,DRUG_6912
6913,6913,6913,6913,6913,6913,6913,6913,DB01159,Halothane,DrugBank,drug,[H]C(Cl)(Br)C(F)(F)F,DRUG_6913
6914,6914,6914,6914,6914,6914,6914,6914,DB11672,Curcumin,DrugBank,drug,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O,DRUG_6914
6915,6915,6915,6915,6915,6915,6915,6915,DB12848,PF-04217903,DrugBank,drug,OCCN1C=C(C=N1)C1=CN=C2N=NN(CC3=CC4=CC=CN=C4C=C3)C2=N1,DRUG_6915
6916,6916,6916,6916,6916,6916,6916,6916,DB07047,"2',4'-DICHLORO-4-HYDROXY-1,1'-BIPHENYL-3-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=CC(=CC=C1O)C1=C(Cl)C=C(Cl)C=C1,DRUG_6916
6917,6917,6917,6917,6917,6917,6917,6917,DB11734,Fedovapagon,DrugBank,drug,CN(C)C(=O)[C@@H]1CCCN1C(=O)NCC1=CC=C(C=C1C)C(=O)N1CCCCC2=C1C=CC=C2,DRUG_6917
6918,6918,6918,6918,6918,6918,6918,6918,DB00372,Thiethylperazine,DrugBank,drug,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,DRUG_6918
6919,6919,6919,6919,6919,6919,6919,6919,DB02263,D-glyceraldehyde 3-phosphate,DrugBank,drug,[H]C(=O)[C@H](O)COP(O)(O)=O,DRUG_6919
6920,6920,6920,6920,6920,6920,6920,6920,DB00467,Enoxacin,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,DRUG_6920
6921,6921,6921,6921,6921,6921,6921,6921,DB00152,Thiamine,DrugBank,drug,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,DRUG_6921
6922,6922,6922,6922,6922,6922,6922,6922,DB00568,Cinnarizine,DrugBank,drug,C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_6922
6923,6923,6923,6923,6923,6923,6923,6923,DB02232,"1,2-Dihydroxybenzene",DrugBank,drug,OC1=CC=CC=C1O,DRUG_6923
6924,6924,6924,6924,6924,6924,6924,6924,DB09101,Elvitegravir,DrugBank,drug,[H][C@@](CO)(C(C)C)N1C=C(C(O)=O)C(=O)C2=C1C=C(OC)C(CC1=C(F)C(Cl)=CC=C1)=C2,DRUG_6924
6925,6925,6925,6925,6925,6925,6925,6925,DB13916,Toyocamycin,DrugBank,drug,NC1=C2C(=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1)C#N,DRUG_6925
6926,6926,6926,6926,6926,6926,6926,6926,DB05913,OSI-930,DrugBank,drug,FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1,DRUG_6926
6927,6927,6927,6927,6927,6927,6927,6927,DB06947,1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_6927
6928,6928,6928,6928,6928,6928,6928,6928,DB02335,2-Aminothiazoline,DrugBank,drug,NC1=NCCS1,DRUG_6928
6929,6929,6929,6929,6929,6929,6929,6929,DB00494,Entacapone,DrugBank,drug,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N,DRUG_6929
6930,6930,6930,6930,6930,6930,6930,6930,DB05396,Albinterferon Alfa-2B,DrugBank,drug,,DRUG_6930
6931,6931,6931,6931,6931,6931,6931,6931,DB01809,"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",DrugBank,drug,CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C,DRUG_6931
6932,6932,6932,6932,6932,6932,6932,6932,DB00921,Buprenorphine,DrugBank,drug,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4,DRUG_6932
6933,6933,6933,6933,6933,6933,6933,6933,DB13941,Piperaquine,DrugBank,drug,ClC1=CC2=C(C=C1)C(=CC=N2)N1CCN(CCCN2CCN(CC2)C2=CC=NC3=C2C=CC(Cl)=C3)CC1,DRUG_6933
6934,6934,6934,6934,6934,6934,6934,6934,DB04570,Latamoxef,DrugBank,drug,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O,DRUG_6934
6935,6935,6935,6935,6935,6935,6935,6935,DB08320,"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE",DrugBank,drug,[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC,DRUG_6935
6936,6936,6936,6936,6936,6936,6936,6936,DB08068,N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-,DrugBank,drug,[H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1,DRUG_6936
6937,6937,6937,6937,6937,6937,6937,6937,DB02080,"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene",DrugBank,drug,COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C,DRUG_6937
6938,6938,6938,6938,6938,6938,6938,6938,DB05097,Labetuzumab,DrugBank,drug,,DRUG_6938
6939,6939,6939,6939,6939,6939,6939,6939,DB14959,Opicinumab,DrugBank,drug,,DRUG_6939
6940,6940,6940,6940,6940,6940,6940,6940,DB01766,Beta-(2-Naphthyl)-Alanine,DrugBank,drug,[H][C@](N)(CC1=CC=C2C=CC=CC2=C1)C(O)=O,DRUG_6940
6941,6941,6941,6941,6941,6941,6941,6941,DB08884,Gadoxetic acid,DrugBank,drug,[Gd+3].[H][C@@](CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)(CC1=CC=C(OCC)C=C1)N(CC(O)=O)CC(O)=O,DRUG_6941
6942,6942,6942,6942,6942,6942,6942,6942,DB15561,Valoctocogene roxaparvovec,DrugBank,drug,,DRUG_6942
6943,6943,6943,6943,6943,6943,6943,6943,DB09320,Procaine benzylpenicillin,DrugBank,drug,CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,DRUG_6943
6944,6944,6944,6944,6944,6944,6944,6944,DB03389,alpha-D-Xylopyranose,DrugBank,drug,O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O,DRUG_6944
6945,6945,6945,6945,6945,6945,6945,6945,DB12791,Laninamivir,DrugBank,drug,[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)CO,DRUG_6945
6946,6946,6946,6946,6946,6946,6946,6946,DB07113,"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE",DrugBank,drug,[H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1,DRUG_6946
6947,6947,6947,6947,6947,6947,6947,6947,DB01831,Tryptophanyl-5'amp,DrugBank,drug,N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,DRUG_6947
6948,6948,6948,6948,6948,6948,6948,6948,DB01002,Levobupivacaine,DrugBank,drug,CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,DRUG_6948
6949,6949,6949,6949,6949,6949,6949,6949,DB16832,Fadrozole,DrugBank,drug,N#CC1=CC=C(C=C1)C1CCCC2=CN=CN12,DRUG_6949
6950,6950,6950,6950,6950,6950,6950,6950,DB14725,Cefamandole nafate,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](OC=O)C1=CC=CC=C1)C(O)=O,DRUG_6950
6951,6951,6951,6951,6951,6951,6951,6951,DB12390,Seladelpar,DrugBank,drug,CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC1=CC=C(OCC(O)=O)C(C)=C1,DRUG_6951
6952,6952,6952,6952,6952,6952,6952,6952,DB06027,NGD-4715,DrugBank,drug,COC1=C(OC)C=C(CN2CCN(CC2)C2=NC(OC)=C(Br)C=C2)C=C1,DRUG_6952
6953,6953,6953,6953,6953,6953,6953,6953,DB03338,Heptyl glucoside,DrugBank,drug,CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_6953
6954,6954,6954,6954,6954,6954,6954,6954,DB09015,Canrenoic acid,DrugBank,drug,[H][C@@]12CC[C@@](O)(CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C,DRUG_6954
6955,6955,6955,6955,6955,6955,6955,6955,DB13617,Clorexolone,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2CN(C3CCCCC3)C(=O)C2=C1,DRUG_6955
6956,6956,6956,6956,6956,6956,6956,6956,DB02148,3-Amino-4-Oxybenzyl-2-Butanone,DrugBank,drug,CC(=O)[C@@H](N)COCC1=CC=CC=C1,DRUG_6956
6957,6957,6957,6957,6957,6957,6957,6957,DB09137,Technetium Tc-99m mebrofenin,DrugBank,drug,[Tc].CC1=CC(C)=C(Br)C(C)=C1NC(=O)CN(CC(O)=O)CC(O)=O,DRUG_6957
6958,6958,6958,6958,6958,6958,6958,6958,DB06243,Eflornithine,DrugBank,drug,NCCCC(N)(C(F)F)C(O)=O,DRUG_6958
6959,6959,6959,6959,6959,6959,6959,6959,DB03877,AL-4623,DrugBank,drug,CCN[C@H]1CN(CCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_6959
6960,6960,6960,6960,6960,6960,6960,6960,DB15281,Ravoxertinib,DrugBank,drug,CN1N=CC=C1NC1=NC=CC(=N1)C1=CC(=O)N(C=C1)[C@H](CO)C1=CC(F)=C(Cl)C=C1,DRUG_6960
6961,6961,6961,6961,6961,6961,6961,6961,DB04264,"(10R)-10-formyl-5,8,10-trideazafolic acid",DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],DRUG_6961
6962,6962,6962,6962,6962,6962,6962,6962,DB15449,Citarinostat,DrugBank,drug,ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C1=CC=CC=C1)C1=CC=CC=C1Cl,DRUG_6962
6963,6963,6963,6963,6963,6963,6963,6963,DB03772,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol",DrugBank,drug,[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO,DRUG_6963
6964,6964,6964,6964,6964,6964,6964,6964,DB07067,"(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE",DrugBank,drug,[H][C@@](N)(C(=O)N1CCCC1)[C@]([H])(C)C1=NC(=NO1)C1=CC=C(C=C1)S(C)(=O)=O,DRUG_6964
6965,6965,6965,6965,6965,6965,6965,6965,DB11567,Insulin peglispro,DrugBank,drug,,DRUG_6965
6966,6966,6966,6966,6966,6966,6966,6966,DB13640,Acetoxolone,DrugBank,drug,CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C,DRUG_6966
6967,6967,6967,6967,6967,6967,6967,6967,DB13939,RAD-140,DrugBank,drug,[H][C@@](C)(O)[C@@]([H])(NC1=C(C)C(Cl)=C(C=C1)C#N)C1=NN=C(O1)C1=CC=C(C=C1)C#N,DRUG_6967
6968,6968,6968,6968,6968,6968,6968,6968,DB14715,Cinazepam,DrugBank,drug,OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O,DRUG_6968
6969,6969,6969,6969,6969,6969,6969,6969,DB00515,Cisplatin,DrugBank,drug,[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H],DRUG_6969
6970,6970,6970,6970,6970,6970,6970,6970,DB12480,Betulinic Acid,DrugBank,drug,[H]OC(=O)[C@]12CC[C@@]([H])(C(C)=C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@@]4(C)CC[C@]([H])(O[H])C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2,DRUG_6970
6971,6971,6971,6971,6971,6971,6971,6971,DB01942,Formic acid,DrugBank,drug,[H]C(O)=O,DRUG_6971
6972,6972,6972,6972,6972,6972,6972,6972,DB04754,"GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12,DRUG_6972
6973,6973,6973,6973,6973,6973,6973,6973,DB05053,MB-07803,DrugBank,drug,CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C,DRUG_6973
6974,6974,6974,6974,6974,6974,6974,6974,DB05920,RTA 744,DrugBank,drug,,DRUG_6974
6975,6975,6975,6975,6975,6975,6975,6975,DB12214,Luseogliflozin,DrugBank,drug,CCOC1=CC=C(CC2=CC([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C=C2C)C=C1,DRUG_6975
6976,6976,6976,6976,6976,6976,6976,6976,DB03023,"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",DrugBank,drug,CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1,DRUG_6976
6977,6977,6977,6977,6977,6977,6977,6977,DB06471,Naxifylline,DrugBank,drug,[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1C1=NC2=C(N1)N(CCC)C(=O)C(CCC)C2=O,DRUG_6977
6978,6978,6978,6978,6978,6978,6978,6978,DB07761,"(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DrugBank,drug,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,DRUG_6978
6979,6979,6979,6979,6979,6979,6979,6979,DB02884,3-Cyclohexyl-L-alanine,DrugBank,drug,N[C@@H](CC1CCCCC1)C(O)=O,DRUG_6979
6980,6980,6980,6980,6980,6980,6980,6980,DB01484,"4-Bromo-2,5-dimethoxyamphetamine",DrugBank,drug,COC1=CC(Br)=C(OC)C=C1CC(C)N,DRUG_6980
6981,6981,6981,6981,6981,6981,6981,6981,DB12682,Mubritinib,DrugBank,drug,FC(F)(F)C1=CC=C(\C=C\C2=NC(COC3=CC=C(CCCCN4C=CN=N4)C=C3)=CO2)C=C1,DRUG_6981
6982,6982,6982,6982,6982,6982,6982,6982,DB08618,3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER,DrugBank,drug,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)O[P@](O)(=O)C1=CC=CC=C1,DRUG_6982
6983,6983,6983,6983,6983,6983,6983,6983,DB01279,Galsulfase,DrugBank,drug,,DRUG_6983
6984,6984,6984,6984,6984,6984,6984,6984,DB07902,"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE",DrugBank,drug,CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,DRUG_6984
6985,6985,6985,6985,6985,6985,6985,6985,DB06878,1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(Cl)=C1,DRUG_6985
6986,6986,6986,6986,6986,6986,6986,6986,DB05530,CPG 10101,DrugBank,drug,,DRUG_6986
6987,6987,6987,6987,6987,6987,6987,6987,DB02495,9-(4-hydroxybutyl)-N2-phenylguanine,DrugBank,drug,OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O,DRUG_6987
6988,6988,6988,6988,6988,6988,6988,6988,DB08997,Dexetimide,DrugBank,drug,O=C1CC[C@@](C2CCN(CC3=CC=CC=C3)CC2)(C(=O)N1)C1=CC=CC=C1,DRUG_6988
6989,6989,6989,6989,6989,6989,6989,6989,DB02690,NU1025,DrugBank,drug,CC1=NC2=C(C=CC=C2O)C(=O)N1,DRUG_6989
6990,6990,6990,6990,6990,6990,6990,6990,DB06768,Ammonium lactate,DrugBank,drug,[NH4+].CC(O)C([O-])=O,DRUG_6990
6991,6991,6991,6991,6991,6991,6991,6991,DB12293,Nefopam,DrugBank,drug,CN1CCOC(C2=CC=CC=C2)C2=CC=CC=C2C1,DRUG_6991
6992,6992,6992,6992,6992,6992,6992,6992,DB06962,JNJ-27390467,DrugBank,drug,NCC1=CC=C2OCC3(CCN(CC3)C(=O)C3=CC=C(O3)C#CC3=CC=CC=C3)C2=C1,DRUG_6992
6993,6993,6993,6993,6993,6993,6993,6993,DB11464,Sulfaquinoxaline,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=C(C=CC=C2)N=C1,DRUG_6993
6994,6994,6994,6994,6994,6994,6994,6994,DB03087,2-(Sec-Butyl)Thiazole,DrugBank,drug,CC[C@@H](C)C1=NC=CS1,DRUG_6994
6995,6995,6995,6995,6995,6995,6995,6995,DB03747,N-Acetyl-glucosamine thiazoline,DrugBank,drug,[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(C)S2,DRUG_6995
6996,6996,6996,6996,6996,6996,6996,6996,DB16236,Mitapivat,DrugBank,drug,O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1,DRUG_6996
6997,6997,6997,6997,6997,6997,6997,6997,DB06755,Beta carotene,DrugBank,drug,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,DRUG_6997
6998,6998,6998,6998,6998,6998,6998,6998,DB00583,Levocarnitine,DrugBank,drug,C[N+](C)(C)C[C@H](O)CC([O-])=O,DRUG_6998
6999,6999,6999,6999,6999,6999,6999,6999,DB15570,FLX475,DrugBank,drug,,DRUG_6999
7000,7000,7000,7000,7000,7000,7000,7000,DB00196,Fluconazole,DrugBank,drug,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,DRUG_7000
7001,7001,7001,7001,7001,7001,7001,7001,DB05419,ADX-10061,DrugBank,drug,CN1CCC2=CC(=C(O)C=C2[C@H](C1)C1=C2OCCC2=CC=C1)[N+]([O-])=O,DRUG_7001
7002,7002,7002,7002,7002,7002,7002,7002,DB04869,Olcegepant,DrugBank,drug,NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1,DRUG_7002
7003,7003,7003,7003,7003,7003,7003,7003,DB11906,Acyline,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(C)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(C)=O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_7003
7004,7004,7004,7004,7004,7004,7004,7004,DB13528,Chlormadinone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)CC[C@]12C,DRUG_7004
7005,7005,7005,7005,7005,7005,7005,7005,DB03902,Oxalic Acid,DrugBank,drug,OC(=O)C(O)=O,DRUG_7005
7006,7006,7006,7006,7006,7006,7006,7006,DB02999,Quisqualic acid,DrugBank,drug,N[C@@H](CN1OC(=O)NC1=O)C(O)=O,DRUG_7006
7007,7007,7007,7007,7007,7007,7007,7007,DB00694,Daunorubicin,DrugBank,drug,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O,DRUG_7007
7008,7008,7008,7008,7008,7008,7008,7008,DB09325,Sodium fluoride,DrugBank,drug,[F-].[Na+],DRUG_7008
7009,7009,7009,7009,7009,7009,7009,7009,DB03021,Ulapualide A,DrugBank,drug,[H]C(=C([H])C([H])(C)C([H])(OC(C)=O)[C@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)CCCC(=O)C[C@]([H])(C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)OC)N(C)CO,DRUG_7009
7010,7010,7010,7010,7010,7010,7010,7010,DB10966,Sorghum bicolor subsp. drummondii pollen,DrugBank,drug,,DRUG_7010
7011,7011,7011,7011,7011,7011,7011,7011,DB00050,Cetrorelix,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,DRUG_7011
7012,7012,7012,7012,7012,7012,7012,7012,DB13988,SB-269970,DrugBank,drug,CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1,DRUG_7012
7013,7013,7013,7013,7013,7013,7013,7013,DB18490,Aficamten,DrugBank,drug,CCC1=NC(=NO1)C1=CC=C2[C@@H](CCC2=C1)NC(=O)C1=CN(C)N=C1,DRUG_7013
7014,7014,7014,7014,7014,7014,7014,7014,DB08387,Mardepodect,DrugBank,drug,CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1,DRUG_7014
7015,7015,7015,7015,7015,7015,7015,7015,DB13641,Metisazone,DrugBank,drug,CN1C(=O)\C(=N/NC(N)=S)C2=C1C=CC=C2,DRUG_7015
7016,7016,7016,7016,7016,7016,7016,7016,DB02303,"(5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione",DrugBank,drug,[H]N1C[C@H](I)C(=O)N([H])C1=O,DRUG_7016
7017,7017,7017,7017,7017,7017,7017,7017,DB06735,Enclomiphene,DrugBank,drug,CCN(CC)CCOC1=CC=C(C=C1)C(=C(\Cl)C1=CC=CC=C1)\C1=CC=CC=C1,DRUG_7017
7018,7018,7018,7018,7018,7018,7018,7018,DB09472,Sodium sulfate,DrugBank,drug,[Na+].[Na+].[O-]S([O-])(=O)=O,DRUG_7018
7019,7019,7019,7019,7019,7019,7019,7019,DB04222,Sparsomycin,DrugBank,drug,CSC[S@+]([O-])C[C@H](CO)NC(=O)\C=C\C1=C(C)NC(=O)NC1=O,DRUG_7019
7020,7020,7020,7020,7020,7020,7020,7020,DB01530,"5alpha-androstane-3alpha,17beta-diol",DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,DRUG_7020
7021,7021,7021,7021,7021,7021,7021,7021,DB08574,"(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one",DrugBank,drug,FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1,DRUG_7021
7022,7022,7022,7022,7022,7022,7022,7022,DB05387,Neovastat,DrugBank,drug,,DRUG_7022
7023,7023,7023,7023,7023,7023,7023,7023,DB07534,"4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,DRUG_7023
7024,7024,7024,7024,7024,7024,7024,7024,DB11219,Enzacamene,DrugBank,drug,CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1,DRUG_7024
7025,7025,7025,7025,7025,7025,7025,7025,DB16191,Ifidancitinib,DrugBank,drug,COC1=C(F)C(C)=CC(NC2=NC=C(C)C(NC3=CC=C4OC(=O)NC4=C3)=N2)=C1,DRUG_7025
7026,7026,7026,7026,7026,7026,7026,7026,DB11716,Misonidazole,DrugBank,drug,COCC(O)CN1C=CN=C1[N+]([O-])=O,DRUG_7026
7027,7027,7027,7027,7027,7027,7027,7027,DB08790,1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,DrugBank,drug,OC(=O)C1=CN(N=C1)C1=CC=CC=C1,DRUG_7027
7028,7028,7028,7028,7028,7028,7028,7028,DB01772,"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione",DrugBank,drug,[H][C@@](O)(CO)CNC1=CC=CC(=C1)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC=C(F)C=C12,DRUG_7028
7029,7029,7029,7029,7029,7029,7029,7029,DB11632,Opicapone,DrugBank,drug,CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl,DRUG_7029
7030,7030,7030,7030,7030,7030,7030,7030,DB07496,"1,3-diphenylurea",DrugBank,drug,O=C(NC1=CC=CC=C1)NC1=CC=CC=C1,DRUG_7030
7031,7031,7031,7031,7031,7031,7031,7031,DB14638,Diloxanide furoate,DrugBank,drug,CN(C(=O)C(Cl)Cl)C1=CC=C(OC(=O)C2=CC=CO2)C=C1,DRUG_7031
7032,7032,7032,7032,7032,7032,7032,7032,DB18298,PTI-110,DrugBank,drug,OC1=CC=C(NC(=O)C2=CC=C(O)C(O)=C2)C=C1O,DRUG_7032
7033,7033,7033,7033,7033,7033,7033,7033,DB00226,Guanadrel,DrugBank,drug,NC(N)=NCC1COC2(CCCCC2)O1,DRUG_7033
7034,7034,7034,7034,7034,7034,7034,7034,DB07482,(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE,DrugBank,drug,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1)B(O)O,DRUG_7034
7035,7035,7035,7035,7035,7035,7035,7035,DB00902,Methdilazine,DrugBank,drug,CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1,DRUG_7035
7036,7036,7036,7036,7036,7036,7036,7036,DB14529,Chromium nicotinate,DrugBank,drug,[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1,DRUG_7036
7037,7037,7037,7037,7037,7037,7037,7037,DB08065,2-(1H-pyrazol-3-yl)-1H-benzimidazole,DrugBank,drug,N1C=CC(=N1)C1=NC2=CC=CC=C2N1,DRUG_7037
7038,7038,7038,7038,7038,7038,7038,7038,DB15248,Bulevirtide,DrugBank,drug,,DRUG_7038
7039,7039,7039,7039,7039,7039,7039,7039,DB02919,"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",DrugBank,drug,COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC,DRUG_7039
7040,7040,7040,7040,7040,7040,7040,7040,DB12186,SRT-2104,DrugBank,drug,CC1=C(SC(=N1)C1=CC=CN=C1)C(=O)NC1=CC=CC=C1C1=CN2C(CN3CCOCC3)=CSC2=N1,DRUG_7040
7041,7041,7041,7041,7041,7041,7041,7041,DB00406,Gentian violet cation,DrugBank,drug,CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,DRUG_7041
7042,7042,7042,7042,7042,7042,7042,7042,DB13105,Resolvin E1,DrugBank,drug,CC[C@@H](O)\C=C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,DRUG_7042
7043,7043,7043,7043,7043,7043,7043,7043,DB00686,Pentosan polysulfate,DrugBank,drug,O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](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,DRUG_7043
7044,7044,7044,7044,7044,7044,7044,7044,DB06674,Golimumab,DrugBank,drug,,DRUG_7044
7045,7045,7045,7045,7045,7045,7045,7045,DB13312,Delapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(O)=O)C1CC2=C(C1)C=CC=C2,DRUG_7045
7046,7046,7046,7046,7046,7046,7046,7046,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",DrugBank,drug,[H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1,DRUG_7046
7047,7047,7047,7047,7047,7047,7047,7047,DB12063,CERC-301,DrugBank,drug,CC1=CC=C(COC(=O)N2CC[C@H](CNC3=NC=CC=N3)[C@H](F)C2)C=C1,DRUG_7047
7048,7048,7048,7048,7048,7048,7048,7048,DB11110,Magnesium citrate,DrugBank,drug,[Mg++].[Mg++].[Mg++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_7048
7049,7049,7049,7049,7049,7049,7049,7049,DB02602,AL7182,DrugBank,drug,COC1=CC(=CC=C1)N1CCC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,DRUG_7049
7050,7050,7050,7050,7050,7050,7050,7050,DB04074,alpha-Ketoisovalerate,DrugBank,drug,CC(C)C(=O)C(O)=O,DRUG_7050
7051,7051,7051,7051,7051,7051,7051,7051,DB10803,Typhoid Vi polysaccharide vaccine,DrugBank,drug,,DRUG_7051
7052,7052,7052,7052,7052,7052,7052,7052,DB07832,"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde",DrugBank,drug,CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1,DRUG_7052
7053,7053,7053,7053,7053,7053,7053,7053,DB00214,Torasemide,DrugBank,drug,CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1,DRUG_7053
7054,7054,7054,7054,7054,7054,7054,7054,DB07958,(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID,DrugBank,drug,CCCC1=CC2=C(NC(CC(N)=O)=C2)C(CC(O)=O)=C1,DRUG_7054
7055,7055,7055,7055,7055,7055,7055,7055,DB13062,ME-344,DrugBank,drug,CC1=C(O)C=CC2=C1OC[C@H]([C@H]2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_7055
7056,7056,7056,7056,7056,7056,7056,7056,DB18634,Vasoactive intestinal peptide,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CNC=N1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O,DRUG_7056
7057,7057,7057,7057,7057,7057,7057,7057,DB01561,Androstanedione,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,DRUG_7057
7058,7058,7058,7058,7058,7058,7058,7058,DB18393,EP-217609,DrugBank,drug,[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)CCCNC(=O)C[C@H](NS(=O)(=O)C3=C(C)C=C(OC)C(C)=C3C)C(=O)N[C@H](CC3=CC=C(C=C3)C(N)=N)C(=O)N3CCCCC3)C(=O)NCCOCCOCCOCCO[C@@H]3[C@@H](COS(O)(=O)=O)O[C@H](O[C@@]4([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]5([H])[C@@H](COS(O)(=O)=O)O[C@H](O[C@@]6([H])[C@H](OC)[C@@H](OC)[C@H](O[C@]7([H])[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]7OC)O[C@H]6C(O)=O)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@@H]4C(O)=O)[C@H](OC)[C@H]3OC)[C@@]1([H])NC(=O)N2,DRUG_7058
7059,7059,7059,7059,7059,7059,7059,7059,DB02875,CRA_1802,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(F)=CC=C1[O-],DRUG_7059
7060,7060,7060,7060,7060,7060,7060,7060,DB07608,N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide,DrugBank,drug,[H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1,DRUG_7060
7061,7061,7061,7061,7061,7061,7061,7061,DB00141,N-Acetylglucosamine,DrugBank,drug,[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_7061
7062,7062,7062,7062,7062,7062,7062,7062,DB07684,5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID,DrugBank,drug,CN(C)C1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,DRUG_7062
7063,7063,7063,7063,7063,7063,7063,7063,DB13127,Olokizumab,DrugBank,drug,,DRUG_7063
7064,7064,7064,7064,7064,7064,7064,7064,DB03847,gamma-carboxy-L-glutamic acid,DrugBank,drug,N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O,DRUG_7064
7065,7065,7065,7065,7065,7065,7065,7065,DB01630,SC-74020,DrugBank,drug,CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO,DRUG_7065
7066,7066,7066,7066,7066,7066,7066,7066,DB08141,"4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide",DrugBank,drug,[H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F,DRUG_7066
7067,7067,7067,7067,7067,7067,7067,7067,DB00990,Exemestane,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C,DRUG_7067
7068,7068,7068,7068,7068,7068,7068,7068,DB15478,Frangula purshiana bark,DrugBank,drug,,DRUG_7068
7069,7069,7069,7069,7069,7069,7069,7069,DB01340,Cilazapril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,DRUG_7069
7070,7070,7070,7070,7070,7070,7070,7070,DB04944,Acadesine,DrugBank,drug,[H][C@]1(CO)O[C@]([H])([C@H](O)[C@@H]1O)N1C=NC(C(N)=O)=C1N,DRUG_7070
7071,7071,7071,7071,7071,7071,7071,7071,DB03313,Cephalosporin C,DrugBank,drug,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,DRUG_7071
7072,7072,7072,7072,7072,7072,7072,7072,DB07930,(3R)-3-HYDROXYDODECANOIC ACID,DrugBank,drug,[H][C@@](O)(CCCCCCCCC)CC(O)=O,DRUG_7072
7073,7073,7073,7073,7073,7073,7073,7073,DB01699,(4e)-4-Aminohex-4-Enoic Acid,DrugBank,drug,[H]\C(C)=C(/N)CCC(O)=O,DRUG_7073
7074,7074,7074,7074,7074,7074,7074,7074,DB12317,Vanucizumab,DrugBank,drug,,DRUG_7074
7075,7075,7075,7075,7075,7075,7075,7075,DB13940,"2,5-Dimethoxy-4-ethylthioamphetamine",DrugBank,drug,CCSC1=CC(OC)=C(CC(C)N)C=C1OC,DRUG_7075
7076,7076,7076,7076,7076,7076,7076,7076,DB14579,Lanthanum III cation,DrugBank,drug,[La+3],DRUG_7076
7077,7077,7077,7077,7077,7077,7077,7077,DB05447,AVI-4557,DrugBank,drug,,DRUG_7077
7078,7078,7078,7078,7078,7078,7078,7078,DB07100,"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",DrugBank,drug,OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1,DRUG_7078
7079,7079,7079,7079,7079,7079,7079,7079,DB00939,Meclofenamic acid,DrugBank,drug,CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1,DRUG_7079
7080,7080,7080,7080,7080,7080,7080,7080,DB02310,"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium",DrugBank,drug,CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1,DRUG_7080
7081,7081,7081,7081,7081,7081,7081,7081,DB04703,Hesperidin,DrugBank,drug,COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O,DRUG_7081
7082,7082,7082,7082,7082,7082,7082,7082,DB12712,Pilsicainide,DrugBank,drug,CC1=CC=CC(C)=C1NC(=O)CC12CCCN1CCC2,DRUG_7082
7083,7083,7083,7083,7083,7083,7083,7083,DB17021,JQ1,DrugBank,drug,CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)OC(C)(C)C)N=C2C1=CC=C(Cl)C=C1,DRUG_7083
7084,7084,7084,7084,7084,7084,7084,7084,DB00693,Fluorescein,DrugBank,drug,OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1,DRUG_7084
7085,7085,7085,7085,7085,7085,7085,7085,DB08624,"1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine",DrugBank,drug,N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1,DRUG_7085
7086,7086,7086,7086,7086,7086,7086,7086,DB11830,Mocetinostat,DrugBank,drug,NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1,DRUG_7086
7087,7087,7087,7087,7087,7087,7087,7087,DB08092,3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide,DrugBank,drug,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1,DRUG_7087
7088,7088,7088,7088,7088,7088,7088,7088,DB07794,"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE",DrugBank,drug,NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1,DRUG_7088
7089,7089,7089,7089,7089,7089,7089,7089,DB00498,Phenindione,DrugBank,drug,O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1,DRUG_7089
7090,7090,7090,7090,7090,7090,7090,7090,DB00915,Amantadine,DrugBank,drug,NC12CC3CC(CC(C3)C1)C2,DRUG_7090
7091,7091,7091,7091,7091,7091,7091,7091,DB01153,Sertaconazole,DrugBank,drug,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl,DRUG_7091
7092,7092,7092,7092,7092,7092,7092,7092,DB05187,Elafibranor,DrugBank,drug,CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1,DRUG_7092
7093,7093,7093,7093,7093,7093,7093,7093,DB15047,BMS-919373,DrugBank,drug,NS(=O)(=O)C1=CN=CC(=C1)C1=NC(NCC2=NC=CC=C2)=C2C(C=CC=C2C2=CC=CC=C2)=N1,DRUG_7093
7094,7094,7094,7094,7094,7094,7094,7094,DB06494,Sufugolix,DrugBank,drug,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1,DRUG_7094
7095,7095,7095,7095,7095,7095,7095,7095,DB07814,Gibberellic acid,DrugBank,drug,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O,DRUG_7095
7096,7096,7096,7096,7096,7096,7096,7096,DB04872,Osanetant,DrugBank,drug,CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1,DRUG_7096
7097,7097,7097,7097,7097,7097,7097,7097,DB00029,Anistreplase,DrugBank,drug,,DRUG_7097
7098,7098,7098,7098,7098,7098,7098,7098,DB12384,Silatecan,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=CC1=C3[Si](C)(C)C(C)(C)C)C2=O,DRUG_7098
7099,7099,7099,7099,7099,7099,7099,7099,DB06851,N-(pyridin-3-ylmethyl)aniline,DrugBank,drug,C(NC1=CC=CC=C1)C1=CC=CN=C1,DRUG_7099
7100,7100,7100,7100,7100,7100,7100,7100,DB16063,2X-121,DrugBank,drug,O=C1NN=C2NC(CN3CC4=C(C3)C=CC=C4)=NC3=C2C1=CC=C3,DRUG_7100
7101,7101,7101,7101,7101,7101,7101,7101,DB01854,5-Bromonicotinamide,DrugBank,drug,NC(=O)C1=CN=CC(Br)=C1,DRUG_7101
7102,7102,7102,7102,7102,7102,7102,7102,DB11575,Grazoprevir,DrugBank,drug,COC1=CC2=NC3=C(CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)O3)C(C)(C)C)N=C2C=C1,DRUG_7102
7103,7103,7103,7103,7103,7103,7103,7103,DB12147,Erdafitinib,DrugBank,drug,COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1,DRUG_7103
7104,7104,7104,7104,7104,7104,7104,7104,DB01124,Tolbutamide,DrugBank,drug,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,DRUG_7104
7105,7105,7105,7105,7105,7105,7105,7105,DB11622,Dehydrocholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])C(=O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC(=O)[C@]12C)[C@H](C)CCC(O)=O,DRUG_7105
7106,7106,7106,7106,7106,7106,7106,7106,DB11703,Acalabrutinib,DrugBank,drug,CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1,DRUG_7106
7107,7107,7107,7107,7107,7107,7107,7107,DB14501,Ferrous glycine sulfate,DrugBank,drug,[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O,DRUG_7107
7108,7108,7108,7108,7108,7108,7108,7108,DB00718,Adefovir dipivoxil,DrugBank,drug,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C,DRUG_7108
7109,7109,7109,7109,7109,7109,7109,7109,DB11915,Valbenazine,DrugBank,drug,COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=C1,DRUG_7109
7110,7110,7110,7110,7110,7110,7110,7110,DB06021,AV-412,DrugBank,drug,CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1,DRUG_7110
7111,7111,7111,7111,7111,7111,7111,7111,DB13620,Potassium gluconate,DrugBank,drug,[K+].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,DRUG_7111
7112,7112,7112,7112,7112,7112,7112,7112,DB00803,Colistin,DrugBank,drug,,DRUG_7112
7113,7113,7113,7113,7113,7113,7113,7113,DB03085,Glycolic acid,DrugBank,drug,OCC(O)=O,DRUG_7113
7114,7114,7114,7114,7114,7114,7114,7114,DB03070,Selenazole-4-carboxyamide-adenine dinucleotide,DrugBank,drug,[H]N([H])C(=O)C1=C[Se]C(=N1)[C@]1([H])O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,DRUG_7114
7115,7115,7115,7115,7115,7115,7115,7115,DB13556,Sulfamazone,DrugBank,drug,COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(C3=C(C)N(C)N(C3=O)C3=CC=CC=C3)S(O)(=O)=O)C=C2)N=N1,DRUG_7115
7116,7116,7116,7116,7116,7116,7116,7116,DB00276,Amsacrine,DrugBank,drug,COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1,DRUG_7116
7117,7117,7117,7117,7117,7117,7117,7117,DB11636,Nomegestrol,DrugBank,drug,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,DRUG_7117
7118,7118,7118,7118,7118,7118,7118,7118,DB08765,"6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2,DRUG_7118
7119,7119,7119,7119,7119,7119,7119,7119,DB02607,Adenosine Phosphonoacetic Acid,DrugBank,drug,[H][C@]1(COC(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_7119
7120,7120,7120,7120,7120,7120,7120,7120,DB06497,Aplaviroc,DrugBank,drug,[H][C@@]1(NC(=O)C2(CCN(CC3=CC=C(OC4=CC=C(C=C4)C(O)=O)C=C3)CC2)N(CCCC)C1=O)[C@H](O)C1CCCCC1,DRUG_7120
7121,7121,7121,7121,7121,7121,7121,7121,DB02828,5-Fluorolevulinic Acid,DrugBank,drug,OC(=O)CCC(=O)CF,DRUG_7121
7122,7122,7122,7122,7122,7122,7122,7122,DB13730,Nifurtoinol,DrugBank,drug,OCN1C(=O)CN(\N=C\C2=CC=C(O2)[N+]([O-])=O)C1=O,DRUG_7122
7123,7123,7123,7123,7123,7123,7123,7123,DB13722,Pirprofen,DrugBank,drug,CC(C(O)=O)C1=CC(Cl)=C(C=C1)N1CC=CC1,DRUG_7123
7124,7124,7124,7124,7124,7124,7124,7124,DB03661,L-cysteic acid,DrugBank,drug,N[C@@H](CS(O)(=O)=O)C(O)=O,DRUG_7124
7125,7125,7125,7125,7125,7125,7125,7125,DB01947,RU78262,DrugBank,drug,OP(O)(=O)OC1=C(C=O)C=CC=C1,DRUG_7125
7126,7126,7126,7126,7126,7126,7126,7126,DB03588,Diphenylacetic acid,DrugBank,drug,OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7126
7127,7127,7127,7127,7127,7127,7127,7127,DB05903,KOS-1584,DrugBank,drug,C[C@H]1\C=C\C\C(C)=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1,DRUG_7127
7128,7128,7128,7128,7128,7128,7128,7128,DB13324,Tetrazepam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CCCCC1,DRUG_7128
7129,7129,7129,7129,7129,7129,7129,7129,DB13923,Emicizumab,DrugBank,drug,,DRUG_7129
7130,7130,7130,7130,7130,7130,7130,7130,DB06692,Aprotinin,DrugBank,drug,,DRUG_7130
7131,7131,7131,7131,7131,7131,7131,7131,DB03255,Phenol,DrugBank,drug,OC1=CC=CC=C1,DRUG_7131
7132,7132,7132,7132,7132,7132,7132,7132,DB13378,Norfenefrine,DrugBank,drug,NCC(O)C1=CC(O)=CC=C1,DRUG_7132
7133,7133,7133,7133,7133,7133,7133,7133,DB07678,"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL",DrugBank,drug,[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1,DRUG_7133
7134,7134,7134,7134,7134,7134,7134,7134,DB04246,CRA_23653,DrugBank,drug,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=CC(CC[NH3+])=CC(=C1O)C1=CC=CC=C1,DRUG_7134
7135,7135,7135,7135,7135,7135,7135,7135,DB00814,Meloxicam,DrugBank,drug,CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O,DRUG_7135
7136,7136,7136,7136,7136,7136,7136,7136,DB00916,Metronidazole,DrugBank,drug,CC1=NC=C(N1CCO)[N+]([O-])=O,DRUG_7136
7137,7137,7137,7137,7137,7137,7137,7137,DB11816,Omecamtiv Mecarbil,DrugBank,drug,COC(=O)N1CCN(CC2=C(F)C(NC(=O)NC3=CC=C(C)N=C3)=CC=C2)CC1,DRUG_7137
7138,7138,7138,7138,7138,7138,7138,7138,DB08369,1-(biphenyl-4-ylmethyl)-1H-imidazole,DrugBank,drug,C(N1C=CN=C1)C1=CC=C(C=C1)C1=CC=CC=C1,DRUG_7138
7139,7139,7139,7139,7139,7139,7139,7139,DB07688,"4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1,DRUG_7139
7140,7140,7140,7140,7140,7140,7140,7140,DB02733,Purvalanol,DrugBank,drug,[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C,DRUG_7140
7141,7141,7141,7141,7141,7141,7141,7141,DB08534,"5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,DRUG_7141
7142,7142,7142,7142,7142,7142,7142,7142,DB08357,Diethylene glycol diethyl ether,DrugBank,drug,CCOCCOCCOCC,DRUG_7142
7143,7143,7143,7143,7143,7143,7143,7143,DB14811,Isatuximab,DrugBank,drug,,DRUG_7143
7144,7144,7144,7144,7144,7144,7144,7144,DB16213,Ladostigil,DrugBank,drug,CCN(C)C(=O)OC1=CC2=C(CC[C@H]2NCC#C)C=C1,DRUG_7144
7145,7145,7145,7145,7145,7145,7145,7145,DB07528,3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one,DrugBank,drug,CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F,DRUG_7145
7146,7146,7146,7146,7146,7146,7146,7146,DB00178,Ramipril,DrugBank,drug,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,DRUG_7146
7147,7147,7147,7147,7147,7147,7147,7147,DB11376,Azaperone,DrugBank,drug,FC1=CC=C(C=C1)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1,DRUG_7147
7148,7148,7148,7148,7148,7148,7148,7148,DB13555,Prajmaline,DrugBank,drug,CCC[N@@+]12[C@H]3C[C@]45[C@H](O)[C@H]3[C@@H](C[C@H]1[C@@H]4N(C)C1=C5C=CC=C1)[C@H](CC)[C@H]2O,DRUG_7148
7149,7149,7149,7149,7149,7149,7149,7149,DB02059,Adenosine-5-Diphosphoribose,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_7149
7150,7150,7150,7150,7150,7150,7150,7150,DB00373,Timolol,DrugBank,drug,[H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1,DRUG_7150
7151,7151,7151,7151,7151,7151,7151,7151,DB04783,Sphinxolide B,DrugBank,drug,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)/C[C@H](CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@@H](O)C[C@@H](OC)\C=C\[C@@H]1C)OC)OC,DRUG_7151
7152,7152,7152,7152,7152,7152,7152,7152,DB00741,Hydrocortisone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_7152
7153,7153,7153,7153,7153,7153,7153,7153,DB01420,Testosterone propionate,DrugBank,drug,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_7153
7154,7154,7154,7154,7154,7154,7154,7154,DB12231,Temefos,DrugBank,drug,COP(=S)(OC)OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1,DRUG_7154
7155,7155,7155,7155,7155,7155,7155,7155,DB02671,1-Methylimidazole,DrugBank,drug,CN1C=C[NH+]=C1,DRUG_7155
7156,7156,7156,7156,7156,7156,7156,7156,DB00589,Lisuride,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC,DRUG_7156
7157,7157,7157,7157,7157,7157,7157,7157,DB08219,"4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine",DrugBank,drug,CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1,DRUG_7157
7158,7158,7158,7158,7158,7158,7158,7158,DB01185,Fluoxymesterone,DrugBank,drug,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_7158
7159,7159,7159,7159,7159,7159,7159,7159,DB08694,Variolin B,DrugBank,drug,NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12,DRUG_7159
7160,7160,7160,7160,7160,7160,7160,7160,DB11824,Tofogliflozin,DrugBank,drug,CCC1=CC=C(CC2=CC=C3CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)C=C1,DRUG_7160
7161,7161,7161,7161,7161,7161,7161,7161,DB15043,Toripalimab,DrugBank,drug,,DRUG_7161
7162,7162,7162,7162,7162,7162,7162,7162,DB01888,"4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide",DrugBank,drug,CC(C)C1=C2N=C(N[C@H]3CC[C@H](N)CC3)C=C(NC3=CC=C(C=C3)S(=O)(=O)N(C)C)N2N=C1,DRUG_7162
7163,7163,7163,7163,7163,7163,7163,7163,DB08910,Pomalidomide,DrugBank,drug,NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1,DRUG_7163
7164,7164,7164,7164,7164,7164,7164,7164,DB09195,Lorpiprazole,DrugBank,drug,[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2,DRUG_7164
7165,7165,7165,7165,7165,7165,7165,7165,DB13376,Succinimide,DrugBank,drug,O=C1CCC(=O)N1,DRUG_7165
7166,7166,7166,7166,7166,7166,7166,7166,DB12032,Atagabalin,DrugBank,drug,C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C,DRUG_7166
7167,7167,7167,7167,7167,7167,7167,7167,DB05434,ABT-510,DrugBank,drug,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@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC,DRUG_7167
7168,7168,7168,7168,7168,7168,7168,7168,DB02235,L-methionine (R)-S-oxide,DrugBank,drug,C[S@@](=O)CC[C@H](N)C(O)=O,DRUG_7168
7169,7169,7169,7169,7169,7169,7169,7169,DB12281,Luspatercept,DrugBank,drug,,DRUG_7169
7170,7170,7170,7170,7170,7170,7170,7170,DB00394,Beclomethasone dipropionate,DrugBank,drug,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_7170
7171,7171,7171,7171,7171,7171,7171,7171,DB11405,Eprinomectin,DrugBank,drug,[H]O[C@@H]1C(C)=C[C@@]2([H])C(=O)O[C@@]3([H])C[C@@]([H])(C\C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@@H](OC)[C@H](N([H])C(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C/C=C4/CO[C@@]1([H])[C@]24O[H])O[C@@]1(C3)O[C@H](C(C)C)[C@@H](C)C=C1,DRUG_7171
7172,7172,7172,7172,7172,7172,7172,7172,DB06814,Protokylol,DrugBank,drug,CC(CC1=CC=C2OCOC2=C1)NCC(O)C1=CC=C(O)C(O)=C1,DRUG_7172
7173,7173,7173,7173,7173,7173,7173,7173,DB16700,Runcaciguat,DrugBank,drug,C[C@H]([C@H](C(=O)NC1=C(Cl)C=CC(=C1)[C@@H](CC(O)=O)C1CC1)C1=CC=C(Cl)C=C1)C(F)(F)F,DRUG_7173
7174,7174,7174,7174,7174,7174,7174,7174,DB08931,Riociguat,DrugBank,drug,COC(=O)N(C)C1=C(N)N=C(N=C1N)C1=NN(CC2=C(F)C=CC=C2)C2=C1C=CC=N2,DRUG_7174
7175,7175,7175,7175,7175,7175,7175,7175,DB14910,Mirikizumab,DrugBank,drug,,DRUG_7175
7176,7176,7176,7176,7176,7176,7176,7176,DB02933,5'-Deoxy-5'-(Methylthio)-Tubercidin,DrugBank,drug,[H][C@]1(CSC)O[C@@]([H])(N2C=CC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_7176
7177,7177,7177,7177,7177,7177,7177,7177,DB04389,Ado-P-Ch2-P-Ps-Ado,DrugBank,drug,[H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_7177
7178,7178,7178,7178,7178,7178,7178,7178,DB00577,Valaciclovir,DrugBank,drug,CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O,DRUG_7178
7179,7179,7179,7179,7179,7179,7179,7179,DB16879,AMG-319,DrugBank,drug,C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=C(C=C(F)C=C2)N=C1C1=NC=CC=C1,DRUG_7179
7180,7180,7180,7180,7180,7180,7180,7180,DB00785,Cryptenamine,DrugBank,drug,,DRUG_7180
7181,7181,7181,7181,7181,7181,7181,7181,DB05321,PEG-uricase,DrugBank,drug,,DRUG_7181
7182,7182,7182,7182,7182,7182,7182,7182,DB07416,(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE,DrugBank,drug,[H][C@](CO)(COC(=O)CCCCCCCC)OC(=O)CCC,DRUG_7182
7183,7183,7183,7183,7183,7183,7183,7183,DB05398,C31G,DrugBank,drug,CCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,DRUG_7183
7184,7184,7184,7184,7184,7184,7184,7184,DB09135,Ioxilan,DrugBank,drug,CC(=O)N(CC(O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCCO)=C1I,DRUG_7184
7185,7185,7185,7185,7185,7185,7185,7185,DB00894,Testolactone,DrugBank,drug,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H],DRUG_7185
7186,7186,7186,7186,7186,7186,7186,7186,DB11893,Avagacestat,DrugBank,drug,NC(=O)[C@@H](CCC(F)(F)F)N(CC1=CC=C(C=C1F)C1=NOC=N1)S(=O)(=O)C1=CC=C(Cl)C=C1,DRUG_7186
7187,7187,7187,7187,7187,7187,7187,7187,DB01595,Nitrazepam,DrugBank,drug,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1,DRUG_7187
7188,7188,7188,7188,7188,7188,7188,7188,DB04978,SP1049C,DrugBank,drug,,DRUG_7188
7189,7189,7189,7189,7189,7189,7189,7189,DB06246,Exisulind,DrugBank,drug,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O,DRUG_7189
7190,7190,7190,7190,7190,7190,7190,7190,DB04801,cis-Vaccenic acid,DrugBank,drug,CCCCCC\C=C/CCCCCCCCCC(O)=O,DRUG_7190
7191,7191,7191,7191,7191,7191,7191,7191,DB09166,Etizolam,DrugBank,drug,CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl,DRUG_7191
7192,7192,7192,7192,7192,7192,7192,7192,DB00955,Netilmicin,DrugBank,drug,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,DRUG_7192
7193,7193,7193,7193,7193,7193,7193,7193,DB06848,"1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine",DrugBank,drug,CSC1=C2C=CC=CC2=C(S1)C(=O)N1CCC2(COC3=C2C=C(CN)C=C3)CC1,DRUG_7193
7194,7194,7194,7194,7194,7194,7194,7194,DB01277,Mecasermin,DrugBank,drug,,DRUG_7194
7195,7195,7195,7195,7195,7195,7195,7195,DB08672,4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE,DrugBank,drug,[H][C@@](C)(CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1,DRUG_7195
7196,7196,7196,7196,7196,7196,7196,7196,DB07557,"3,20-Pregnanedione",DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,DRUG_7196
7197,7197,7197,7197,7197,7197,7197,7197,DB08058,"4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one",DrugBank,drug,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCCNCC1,DRUG_7197
7198,7198,7198,7198,7198,7198,7198,7198,DB09275,Bismuth subcitrate potassium,DrugBank,drug,[K+].[K+].[K+].[K+].[K+].[Bi+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,DRUG_7198
7199,7199,7199,7199,7199,7199,7199,7199,DB16385,Ansuvimab,DrugBank,drug,,DRUG_7199
7200,7200,7200,7200,7200,7200,7200,7200,DB11634,Colestilan chloride,DrugBank,drug,,DRUG_7200
7201,7201,7201,7201,7201,7201,7201,7201,DB07854,N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,DrugBank,drug,CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2,DRUG_7201
7202,7202,7202,7202,7202,7202,7202,7202,DB00278,Argatroban,DrugBank,drug,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=C1NCC(C)C2,DRUG_7202
7203,7203,7203,7203,7203,7203,7203,7203,DB08941,Isoxsuprine,DrugBank,drug,C[C@H](COC1=CC=CC=C1)N[C@H](C)[C@@H](O)C1=CC=C(O)C=C1,DRUG_7203
7204,7204,7204,7204,7204,7204,7204,7204,DB11900,OC-459,DrugBank,drug,CC1=C(CC2=CC=C3C=CC=CC3=N2)C2=CC(F)=CC=C2N1CC(O)=O,DRUG_7204
7205,7205,7205,7205,7205,7205,7205,7205,DB13773,Sulfamethoxypyridazine,DrugBank,drug,COC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)C=C1,DRUG_7205
7206,7206,7206,7206,7206,7206,7206,7206,DB04510,3-phospho-D-glyceric acid,DrugBank,drug,O[C@H](COP(O)(O)=O)C(O)=O,DRUG_7206
7207,7207,7207,7207,7207,7207,7207,7207,DB07448,(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O,DRUG_7207
7208,7208,7208,7208,7208,7208,7208,7208,DB02646,Nitrosoethane,DrugBank,drug,CCN=O,DRUG_7208
7209,7209,7209,7209,7209,7209,7209,7209,DB01327,Cefazolin,DrugBank,drug,[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O,DRUG_7209
7210,7210,7210,7210,7210,7210,7210,7210,DB01643,Thymidine monophosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,DRUG_7210
7211,7211,7211,7211,7211,7211,7211,7211,DB03844,"N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=CC=C1F,DRUG_7211
7212,7212,7212,7212,7212,7212,7212,7212,DB01465,"2,5-Dimethoxyamphetamine",DrugBank,drug,COC1=CC(CC(C)N)=C(OC)C=C1,DRUG_7212
7213,7213,7213,7213,7213,7213,7213,7213,DB08558,"2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_7213
7214,7214,7214,7214,7214,7214,7214,7214,DB01260,Desonide,DrugBank,drug,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_7214
7215,7215,7215,7215,7215,7215,7215,7215,DB12730,Dolastatin 10,DrugBank,drug,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,DRUG_7215
7216,7216,7216,7216,7216,7216,7216,7216,DB13087,Miridesap,DrugBank,drug,OC(=O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(O)=O,DRUG_7216
7217,7217,7217,7217,7217,7217,7217,7217,DB11596,Levoleucovorin,DrugBank,drug,NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1,DRUG_7217
7218,7218,7218,7218,7218,7218,7218,7218,DB14022,Typhoid vaccine,DrugBank,drug,,DRUG_7218
7219,7219,7219,7219,7219,7219,7219,7219,DB11614,Rupatadine,DrugBank,drug,CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1,DRUG_7219
7220,7220,7220,7220,7220,7220,7220,7220,DB00662,Trimethobenzamide,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,DRUG_7220
7221,7221,7221,7221,7221,7221,7221,7221,DB00374,Treprostinil,DrugBank,drug,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1,DRUG_7221
7222,7222,7222,7222,7222,7222,7222,7222,DB00709,Lamivudine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1,DRUG_7222
7223,7223,7223,7223,7223,7223,7223,7223,DB11662,Rabusertib,DrugBank,drug,CC1=NC=C(NC(=O)NC2=C(OC[C@@H]3CNCCO3)C=C(C)C(Br)=C2)N=C1,DRUG_7223
7224,7224,7224,7224,7224,7224,7224,7224,DB01177,Idarubicin,DrugBank,drug,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O,DRUG_7224
7225,7225,7225,7225,7225,7225,7225,7225,DB11627,Hepatitis B Vaccine (Recombinant),DrugBank,drug,,DRUG_7225
7226,7226,7226,7226,7226,7226,7226,7226,DB00023,Asparaginase Escherichia coli,DrugBank,drug,,DRUG_7226
7227,7227,7227,7227,7227,7227,7227,7227,DB02068,Delta-Amino Valeric Acid,DrugBank,drug,[NH3+]CCCCC(O)=O,DRUG_7227
7228,7228,7228,7228,7228,7228,7228,7228,DB00519,Trandolapril,DrugBank,drug,[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,DRUG_7228
7229,7229,7229,7229,7229,7229,7229,7229,DB09243,Hydracarbazine,DrugBank,drug,[H]N([H])N([H])C1=NN=C(C=C1)C(=O)N([H])[H],DRUG_7229
7230,7230,7230,7230,7230,7230,7230,7230,DB19283,Honokiol,DrugBank,drug,OC1=CC=C(C=C1CC=C)C1=CC(CC=C)=CC=C1O,DRUG_7230
7231,7231,7231,7231,7231,7231,7231,7231,DB02376,"D-gluconhydroximo-1,5-lactam",DrugBank,drug,[H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,DRUG_7231
7232,7232,7232,7232,7232,7232,7232,7232,DB08811,Tofisopam,DrugBank,drug,CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1,DRUG_7232
7233,7233,7233,7233,7233,7233,7233,7233,DB14681,Cortisone,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_7233
7234,7234,7234,7234,7234,7234,7234,7234,DB08300,"1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DrugBank,drug,CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1,DRUG_7234
7235,7235,7235,7235,7235,7235,7235,7235,DB02492,Ghavamiol,DrugBank,drug,[H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-],DRUG_7235
7236,7236,7236,7236,7236,7236,7236,7236,DB07088,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)COC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_7236
7237,7237,7237,7237,7237,7237,7237,7237,DB08007,(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID,DrugBank,drug,[H][C@@](O)(CNC(=O)NCC1=CC=CC=C1)C(O)=O,DRUG_7237
7238,7238,7238,7238,7238,7238,7238,7238,DB14947,Bermekimab,DrugBank,drug,,DRUG_7238
7239,7239,7239,7239,7239,7239,7239,7239,DB17052,SB 224289,DrugBank,drug,CN1CCC2(COC3=CC4=C(C=C23)N(CC4)C(=O)C2=CC=C(C=C2)C2=C(C)C=C(C=C2)C2=NOC(C)=N2)CC1,DRUG_7239
7240,7240,7240,7240,7240,7240,7240,7240,DB05916,CT-011,DrugBank,drug,,DRUG_7240
7241,7241,7241,7241,7241,7241,7241,7241,DB05088,Tetrathiomolybdate,DrugBank,drug,[S-][Mo]([S-])(=S)=S,DRUG_7241
7242,7242,7242,7242,7242,7242,7242,7242,DB13843,Cloprednol,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])C=C(Cl)C2=CC(=O)C=C[C@]12C,DRUG_7242
7243,7243,7243,7243,7243,7243,7243,7243,DB02948,Fosmidomycin,DrugBank,drug,ON(CCCP(O)(O)=O)C=O,DRUG_7243
7244,7244,7244,7244,7244,7244,7244,7244,DB04983,Denufosol,DrugBank,drug,[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O1,DRUG_7244
7245,7245,7245,7245,7245,7245,7245,7245,DB00716,Nedocromil,DrugBank,drug,CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O,DRUG_7245
7246,7246,7246,7246,7246,7246,7246,7246,DB02655,D-Aspartic Acid,DrugBank,drug,N[C@H](CC(O)=O)C(O)=O,DRUG_7246
7247,7247,7247,7247,7247,7247,7247,7247,DB07058,"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione",DrugBank,drug,COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1,DRUG_7247
7248,7248,7248,7248,7248,7248,7248,7248,DB15406,GLPG-0974,DrugBank,drug,C[C@@]1(CCN1C(=O)C1=CSC2=C1C=CC=C2)C(=O)N(CCCC(O)=O)CC1=CC=CC(Cl)=C1,DRUG_7248
7249,7249,7249,7249,7249,7249,7249,7249,DB17383,FN-1501,DrugBank,drug,CN1CCN(CC2=CC=C(NC(=O)C3=NNC=C3NC3=C4C=CNC4=NC=N3)C=C2)CC1,DRUG_7249
7250,7250,7250,7250,7250,7250,7250,7250,DB06749,Ginsenoside Rb1,DrugBank,drug,[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[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,DRUG_7250
7251,7251,7251,7251,7251,7251,7251,7251,DB12220,ORG-25935,DrugBank,drug,COC1=CC=C2[C@H]([C@@H](CN(C)CC(O)=O)CCC2=C1)C1=CC=CC=C1,DRUG_7251
7252,7252,7252,7252,7252,7252,7252,7252,DB03583,"(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one",DrugBank,drug,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(=O)(=O)N1CCC(O)CC1)=C1/N([H])C2=CC=CC=C2[C@]1(C)O,DRUG_7252
7253,7253,7253,7253,7253,7253,7253,7253,DB15432,Pinatuzumab vedotin,DrugBank,drug,,DRUG_7253
7254,7254,7254,7254,7254,7254,7254,7254,DB09286,Pipamperone,DrugBank,drug,NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,DRUG_7254
7255,7255,7255,7255,7255,7255,7255,7255,DB15112,Somatropin pegol,DrugBank,drug,,DRUG_7255
7256,7256,7256,7256,7256,7256,7256,7256,DB07046,"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide",DrugBank,drug,[H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl,DRUG_7256
7257,7257,7257,7257,7257,7257,7257,7257,DB09165,Technetium Tc-99m pyrophosphate,DrugBank,drug,[99Tc+4].[O-]P([O-])(=O)OP([O-])([O-])=O,DRUG_7257
7258,7258,7258,7258,7258,7258,7258,7258,DB00003,Dornase alfa,DrugBank,drug,,DRUG_7258
7259,7259,7259,7259,7259,7259,7259,7259,DB03773,alpha-D-quinovopyranose,DrugBank,drug,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_7259
7260,7260,7260,7260,7260,7260,7260,7260,DB06281,Torcetrapib,DrugBank,drug,CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C2=C1C=CC(=C2)C(F)(F)F,DRUG_7260
7261,7261,7261,7261,7261,7261,7261,7261,DB05785,LGD-1550,DrugBank,drug,C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O,DRUG_7261
7262,7262,7262,7262,7262,7262,7262,7262,DB13676,Mosapramine,DrugBank,drug,ClC1=CC2=C(CCC3=CC=CC=C3N2CCCN2CCC3(CC2)N2CCCCC2NC3=O)C=C1,DRUG_7262
7263,7263,7263,7263,7263,7263,7263,7263,DB03297,Benzylsulfonic acid,DrugBank,drug,OS(=O)(=O)CC1=CC=CC=C1,DRUG_7263
7264,7264,7264,7264,7264,7264,7264,7264,DB01812,"Adenosine 3',5'-diphosphate",DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,DRUG_7264
7265,7265,7265,7265,7265,7265,7265,7265,DB07186,"4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE",DrugBank,drug,CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1,DRUG_7265
7266,7266,7266,7266,7266,7266,7266,7266,DB11678,Treosulfan,DrugBank,drug,CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O,DRUG_7266
7267,7267,7267,7267,7267,7267,7267,7267,DB11446,Oxfendazole,DrugBank,drug,COC(=O)NC1=NC2=CC(=CC=C2N1)S(=O)C1=CC=CC=C1,DRUG_7267
7268,7268,7268,7268,7268,7268,7268,7268,DB16627,Melphalan flufenamide,DrugBank,drug,CCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@@H](N)CC1=CC=C(C=C1)N(CCCl)CCCl,DRUG_7268
7269,7269,7269,7269,7269,7269,7269,7269,DB00105,Interferon alfa-2b,DrugBank,drug,,DRUG_7269
7270,7270,7270,7270,7270,7270,7270,7270,DB07224,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE",DrugBank,drug,[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,DRUG_7270
7271,7271,7271,7271,7271,7271,7271,7271,DB11715,Bapineuzumab,DrugBank,drug,,DRUG_7271
7272,7272,7272,7272,7272,7272,7272,7272,DB00620,Triamcinolone,DrugBank,drug,[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_7272
7273,7273,7273,7273,7273,7273,7273,7273,DB15354,Evinacumab,DrugBank,drug,,DRUG_7273
7274,7274,7274,7274,7274,7274,7274,7274,DB11651,Dactolisib,DrugBank,drug,CN1C(=O)N(C2=C1C=NC1=CC=C(C=C21)C1=CN=C2C=CC=CC2=C1)C1=CC=C(C=C1)C(C)(C)C#N,DRUG_7274
7275,7275,7275,7275,7275,7275,7275,7275,DB02001,"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine",DrugBank,drug,NC1=NC2=C(C(N)=N1)C(SC1=CC=C(C=C1)N1CCOCC1)=CC=C2,DRUG_7275
7276,7276,7276,7276,7276,7276,7276,7276,DB07079,3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol,DrugBank,drug,CC#CCOC1=CC=C(C=C1)S(=O)(=O)CCCS,DRUG_7276
7277,7277,7277,7277,7277,7277,7277,7277,DB12270,Losmapimod,DrugBank,drug,CC1=C(C=C(C=C1F)C(=O)NC1CC1)C1=CC=C(C=N1)C(=O)NCC(C)(C)C,DRUG_7277
7278,7278,7278,7278,7278,7278,7278,7278,DB11311,Prothrombin,DrugBank,drug,,DRUG_7278
7279,7279,7279,7279,7279,7279,7279,7279,DB01320,Fosphenytoin,DrugBank,drug,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7279
7280,7280,7280,7280,7280,7280,7280,7280,DB08967,Dimetotiazine,DrugBank,drug,CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)S(=O)(=O)N(C)C)N(C)C,DRUG_7280
7281,7281,7281,7281,7281,7281,7281,7281,DB05706,13-deoxydoxorubicin,DrugBank,drug,COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(CCO)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1,DRUG_7281
7282,7282,7282,7282,7282,7282,7282,7282,DB07513,7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE,DrugBank,drug,CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2,DRUG_7282
7283,7283,7283,7283,7283,7283,7283,7283,DB02175,Malonic acid,DrugBank,drug,OC(=O)CC(O)=O,DRUG_7283
7284,7284,7284,7284,7284,7284,7284,7284,DB13650,Aloglutamol,DrugBank,drug,NC(CO)(CO)CO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Al](O)O,DRUG_7284
7285,7285,7285,7285,7285,7285,7285,7285,DB00776,Oxcarbazepine,DrugBank,drug,NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2,DRUG_7285
7286,7286,7286,7286,7286,7286,7286,7286,DB06372,Rilonacept,DrugBank,drug,,DRUG_7286
7287,7287,7287,7287,7287,7287,7287,7287,DB17520,Vimseltinib,DrugBank,drug,CC(C)NC1=NC=C(C(=O)N1C)C1=CC=C(OC2=CC=NC(=C2)C2=CN(C)N=C2)C(C)=N1,DRUG_7287
7288,7288,7288,7288,7288,7288,7288,7288,DB12766,Cicletanine,DrugBank,drug,CC1=C(O)C2=C(C=N1)C(OC2)C1=CC=C(Cl)C=C1,DRUG_7288
7289,7289,7289,7289,7289,7289,7289,7289,DB06987,(R)-Atenolol,DrugBank,drug,CC(C)NC[C@@H](O)COC1=CC=C(CC(N)=O)C=C1,DRUG_7289
7290,7290,7290,7290,7290,7290,7290,7290,DB04036,Coenzyme A persulfide,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSS)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_7290
7291,7291,7291,7291,7291,7291,7291,7291,DB01695,N-Hydroxy-4-phosphonobutanamide,DrugBank,drug,ONC(=O)CCCP(O)(O)=O,DRUG_7291
7292,7292,7292,7292,7292,7292,7292,7292,DB00817,Rosoxacin,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1,DRUG_7292
7293,7293,7293,7293,7293,7293,7293,7293,DB00972,Azelastine,DrugBank,drug,CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O,DRUG_7293
7294,7294,7294,7294,7294,7294,7294,7294,DB13268,Acetarsol,DrugBank,drug,CC(=O)NC1=CC(=CC=C1O)[As](O)(O)=O,DRUG_7294
7295,7295,7295,7295,7295,7295,7295,7295,DB00750,Prilocaine,DrugBank,drug,CCCNC(C)C(=O)NC1=CC=CC=C1C,DRUG_7295
7296,7296,7296,7296,7296,7296,7296,7296,DB09494,Cetyl alcohol,DrugBank,drug,CCCCCCCCCCCCCCCCO,DRUG_7296
7297,7297,7297,7297,7297,7297,7297,7297,DB07239,7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile,DrugBank,drug,CN1C=NC2=CC(C#N)=C(C(CN)=C12)C1=C(Cl)C=CC=C1,DRUG_7297
7298,7298,7298,7298,7298,7298,7298,7298,DB00517,Anisotropine methylbromide,DrugBank,drug,[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C,DRUG_7298
7299,7299,7299,7299,7299,7299,7299,7299,DB15569,Sotorasib,DrugBank,drug,CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=CC(F)=C(N=C12)C1=C(O)C=CC=C1F,DRUG_7299
7300,7300,7300,7300,7300,7300,7300,7300,DB13526,Pentaerithrityl,DrugBank,drug,OCC(CO)(CO)CO,DRUG_7300
7301,7301,7301,7301,7301,7301,7301,7301,DB03526,AL5927,DrugBank,drug,COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,DRUG_7301
7302,7302,7302,7302,7302,7302,7302,7302,DB11993,PF-03463275,DrugBank,drug,[H][C@@]12CN(C)C[C@]1([H])[C@H]2CN(CC1=CC(Cl)=C(F)C=C1)C(=O)C1=CN(C)C=N1,DRUG_7302
7303,7303,7303,7303,7303,7303,7303,7303,DB07933,Erteberel,DrugBank,drug,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,DRUG_7303
7304,7304,7304,7304,7304,7304,7304,7304,DB07356,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",DrugBank,drug,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#C,DRUG_7304
7305,7305,7305,7305,7305,7305,7305,7305,DB09048,Netupitant,DrugBank,drug,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1,DRUG_7305
7306,7306,7306,7306,7306,7306,7306,7306,DB15959,Tripamide,DrugBank,drug,[H][C@@]12CN(C[C@]1([H])[C@@H]1CC[C@H]2C1)NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,DRUG_7306
7307,7307,7307,7307,7307,7307,7307,7307,DB08119,"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",DrugBank,drug,[H][C@@](CC(C)C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)C(F)(F)F,DRUG_7307
7308,7308,7308,7308,7308,7308,7308,7308,DB02350,"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide",DrugBank,drug,[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,DRUG_7308
7309,7309,7309,7309,7309,7309,7309,7309,DB11541,Ractopamine,DrugBank,drug,CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1,DRUG_7309
7310,7310,7310,7310,7310,7310,7310,7310,DB09196,Lubazodone,DrugBank,drug,[H]N1CCO[C@H](COC2=C3CCCC3=C(F)C=C2)C1,DRUG_7310
7311,7311,7311,7311,7311,7311,7311,7311,DB14649,Dexamethasone acetate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_7311
7312,7312,7312,7312,7312,7312,7312,7312,DB13817,Carbromal,DrugBank,drug,CCC(Br)(CC)C(=O)NC(N)=O,DRUG_7312
7313,7313,7313,7313,7313,7313,7313,7313,DB13150,Coagulation factor VII human,DrugBank,drug,,DRUG_7313
7314,7314,7314,7314,7314,7314,7314,7314,DB07117,"5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE",DrugBank,drug,O=C1NC(=O)C(N2CCN(CC2)C2=NC=CC=N2)(C(=O)N1)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_7314
7315,7315,7315,7315,7315,7315,7315,7315,DB08397,6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID,DrugBank,drug,OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O,DRUG_7315
7316,7316,7316,7316,7316,7316,7316,7316,DB09006,Clinofibrate,DrugBank,drug,CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O,DRUG_7316
7317,7317,7317,7317,7317,7317,7317,7317,DB05645,Larazotide,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O,DRUG_7317
7318,7318,7318,7318,7318,7318,7318,7318,DB15670,Gusacitinib,DrugBank,drug,OC1CCN(CC1)C1=CC=C(NC2=C3C(=O)NN=CC3=NC(=N2)N2CCC(CC#N)CC2)C=C1,DRUG_7318
7319,7319,7319,7319,7319,7319,7319,7319,DB00835,Brompheniramine,DrugBank,drug,CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1,DRUG_7319
7320,7320,7320,7320,7320,7320,7320,7320,DB15493,Cambinol,DrugBank,drug,OC1=C(CC2=C(NC(=S)NC2=O)C2=CC=CC=C2)C2=CC=CC=C2C=C1,DRUG_7320
7321,7321,7321,7321,7321,7321,7321,7321,DB06923,2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,DrugBank,drug,CC1=CC=CC(=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,DRUG_7321
7322,7322,7322,7322,7322,7322,7322,7322,DB13717,Phenothrin,DrugBank,drug,CC(C)=CC1C(C(=O)OCC2=CC=CC(OC3=CC=CC=C3)=C2)C1(C)C,DRUG_7322
7323,7323,7323,7323,7323,7323,7323,7323,DB03110,2-Chlorophenol,DrugBank,drug,OC1=CC=CC=C1Cl,DRUG_7323
7324,7324,7324,7324,7324,7324,7324,7324,DB09144,Uridine triacetate,DrugBank,drug,CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H]1OC(C)=O)N1C=CC(=O)NC1=O,DRUG_7324
7325,7325,7325,7325,7325,7325,7325,7325,DB12887,Tazemetostat,DrugBank,drug,CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O,DRUG_7325
7326,7326,7326,7326,7326,7326,7326,7326,DB09132,Gadoteric acid,DrugBank,drug,[Gd+3].OC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1,DRUG_7326
7327,7327,7327,7327,7327,7327,7327,7327,DB07095,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CCC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_7327
7328,7328,7328,7328,7328,7328,7328,7328,DB08940,Kebuzone,DrugBank,drug,CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7328
7329,7329,7329,7329,7329,7329,7329,7329,DB15011,Avacopan,DrugBank,drug,CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F,DRUG_7329
7330,7330,7330,7330,7330,7330,7330,7330,DB07862,"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE",DrugBank,drug,CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1,DRUG_7330
7331,7331,7331,7331,7331,7331,7331,7331,DB09477,Enalaprilat,DrugBank,drug,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O,DRUG_7331
7332,7332,7332,7332,7332,7332,7332,7332,DB03696,Lanosterol,DrugBank,drug,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,DRUG_7332
7333,7333,7333,7333,7333,7333,7333,7333,DB03792,5-Aminouracil,DrugBank,drug,NC1=CNC(=O)NC1=O,DRUG_7333
7334,7334,7334,7334,7334,7334,7334,7334,DB06964,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE",DrugBank,drug,CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1,DRUG_7334
7335,7335,7335,7335,7335,7335,7335,7335,DB10276,Rotavirus vaccine,DrugBank,drug,,DRUG_7335
7336,7336,7336,7336,7336,7336,7336,7336,DB13867,Fluticasone,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,DRUG_7336
7337,7337,7337,7337,7337,7337,7337,7337,DB00220,Nelfinavir,DrugBank,drug,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C,DRUG_7337
7338,7338,7338,7338,7338,7338,7338,7338,DB06680,Asoprisnil,DrugBank,drug,[H]\C(=N/O)C1=CC=C(C=C1)[C@@]1([H])C[C@@]2(C)[C@@]([H])(CC[C@]2(COC)OC)[C@]2([H])CCC3=CC(=O)CCC3=C12,DRUG_7338
7339,7339,7339,7339,7339,7339,7339,7339,DB05642,DDP-225,DrugBank,drug,O.Cl.CC1=CC2=C(N=C(N=C2S1)N1CCNCC1)C1=CC=CC=C1F,DRUG_7339
7340,7340,7340,7340,7340,7340,7340,7340,DB13836,Metampicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=C)C1=CC=CC=C1)C(O)=O,DRUG_7340
7341,7341,7341,7341,7341,7341,7341,7341,DB13829,Calcium silicate,DrugBank,drug,[Ca++].O[Si](O)(O)[O-].O[Si](O)(O)[O-],DRUG_7341
7342,7342,7342,7342,7342,7342,7342,7342,DB04207,L-Saccharopine,DrugBank,drug,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,DRUG_7342
7343,7343,7343,7343,7343,7343,7343,7343,DB15568,Adagrasib,DrugBank,drug,[H][C@@]1(COC2=NC3=C(CCN(C3)C3=CC=CC4=C3C(Cl)=CC=C4)C(=N2)N2CCN(C(=O)C(F)=C)[C@@]([H])(CC#N)C2)CCCN1C,DRUG_7343
7344,7344,7344,7344,7344,7344,7344,7344,DB01486,Cathine,DrugBank,drug,C[C@H](N)[C@@H](O)C1=CC=CC=C1,DRUG_7344
7345,7345,7345,7345,7345,7345,7345,7345,DB16145,Dotinurad,DrugBank,drug,OC1=C(Cl)C=C(C=C1Cl)C(=O)N1CS(=O)(=O)C2=CC=CC=C12,DRUG_7345
7346,7346,7346,7346,7346,7346,7346,7346,DB14977,Padsevonil,DrugBank,drug,COCC1=NN2C(CN3C[C@@H](CC(F)(F)Cl)CC3=O)=C(N=C2S1)C(F)(F)F,DRUG_7346
7347,7347,7347,7347,7347,7347,7347,7347,DB02527,Cyclic adenosine monophosphate,DrugBank,drug,NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,DRUG_7347
7348,7348,7348,7348,7348,7348,7348,7348,DB11198,Peppermint oil,DrugBank,drug,,DRUG_7348
7349,7349,7349,7349,7349,7349,7349,7349,DB09234,Darodipine,DrugBank,drug,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OCC,DRUG_7349
7350,7350,7350,7350,7350,7350,7350,7350,DB00973,Ezetimibe,DrugBank,drug,[H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1,DRUG_7350
7351,7351,7351,7351,7351,7351,7351,7351,DB07968,N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA,DrugBank,drug,COC1=CC=C(O)C=C1NC(=O)NC(=O)C1=CC=C(F)C=C1Cl,DRUG_7351
7352,7352,7352,7352,7352,7352,7352,7352,DB00877,Sirolimus,DrugBank,drug,[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC,DRUG_7352
7353,7353,7353,7353,7353,7353,7353,7353,DB00988,Dopamine,DrugBank,drug,NCCC1=CC(O)=C(O)C=C1,DRUG_7353
7354,7354,7354,7354,7354,7354,7354,7354,DB09075,Edoxaban,DrugBank,drug,CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1,DRUG_7354
7355,7355,7355,7355,7355,7355,7355,7355,DB13266,Cefatrizine,DrugBank,drug,[H][C@@]1(NC(=O)[C@H](N)C2=CC=C(O)C=C2)C(=O)N2C(C(O)=O)=C(CSC3=CNN=N3)CS[C@]12[H],DRUG_7355
7356,7356,7356,7356,7356,7356,7356,7356,DB11864,Preladenant,DrugBank,drug,COCCOC1=CC=C(C=C1)N1CCN(CCN2N=CC3=C2N=C(N)N2N=C(N=C32)C2=CC=CO2)CC1,DRUG_7356
7357,7357,7357,7357,7357,7357,7357,7357,DB04461,Coproporphyrinogen III,DrugBank,drug,CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,DRUG_7357
7358,7358,7358,7358,7358,7358,7358,7358,DB13978,Selisistat,DrugBank,drug,NC(=O)C1CCCC2=C1NC1=C2C=C(Cl)C=C1,DRUG_7358
7359,7359,7359,7359,7359,7359,7359,7359,DB01381,Ginkgo biloba,DrugBank,drug,,DRUG_7359
7360,7360,7360,7360,7360,7360,7360,7360,DB01171,Moclobemide,DrugBank,drug,[H]C1COCCN1CCNC(=O)C1=CC=C(Cl)C=C1,DRUG_7360
7361,7361,7361,7361,7361,7361,7361,7361,DB09318,"Synthetic Conjugated Estrogens, B",DrugBank,drug,,DRUG_7361
7362,7362,7362,7362,7362,7362,7362,7362,DB04729,Gentamicin C1a,DrugBank,drug,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O,DRUG_7362
7363,7363,7363,7363,7363,7363,7363,7363,DB13303,Febarbamate,DrugBank,drug,CCCCOCC(CN1C(=O)NC(=O)C(CC)(C1=O)C1=CC=CC=C1)OC(N)=O,DRUG_7363
7364,7364,7364,7364,7364,7364,7364,7364,DB13772,Rufloxacin,DrugBank,drug,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN3CCSC1=C23)C(O)=O,DRUG_7364
7365,7365,7365,7365,7365,7365,7365,7365,DB06071,DTS-201,DrugBank,drug,,DRUG_7365
7366,7366,7366,7366,7366,7366,7366,7366,DB03176,KB-141,DrugBank,drug,CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O,DRUG_7366
7367,7367,7367,7367,7367,7367,7367,7367,DB01560,Cathinone,DrugBank,drug,C[C@H](N)C(=O)C1=CC=CC=C1,DRUG_7367
7368,7368,7368,7368,7368,7368,7368,7368,DB08847,Hydroxyproline,DrugBank,drug,O[C@H]1CN[C@@H](C1)C(O)=O,DRUG_7368
7369,7369,7369,7369,7369,7369,7369,7369,DB13446,Guar gum,DrugBank,drug,,DRUG_7369
7370,7370,7370,7370,7370,7370,7370,7370,DB06435,Tarazepide,DrugBank,drug,CN1C2=CC=CC=C2C(=N[C@H](NC(=O)C2=CC3=CC=CC4=C3N2CCC4)C1=O)C1=CC=CC=C1,DRUG_7370
7371,7371,7371,7371,7371,7371,7371,7371,DB00292,Etomidate,DrugBank,drug,CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1,DRUG_7371
7372,7372,7372,7372,7372,7372,7372,7372,DB12118,Sotatercept,DrugBank,drug,,DRUG_7372
7373,7373,7373,7373,7373,7373,7373,7373,DB09527,Secretin porcine,DrugBank,drug,,DRUG_7373
7374,7374,7374,7374,7374,7374,7374,7374,DB16936,F-15599,DrugBank,drug,CC1=CN=C(CNCC2(F)CCN(CC2)C(=O)C2=CC=C(F)C(Cl)=C2)N=C1,DRUG_7374
7375,7375,7375,7375,7375,7375,7375,7375,DB17140,JNJ-28312141,DrugBank,drug,CN(C)CC(=O)N1CCC(CC1)C1=CC=C(NC(=O)C2=NC(=CN2)C#N)C(=C1)C1=CCCCC1,DRUG_7375
7376,7376,7376,7376,7376,7376,7376,7376,DB14098,Cobalamin,DrugBank,drug,[Co++].[H]N([H])C(=O)CC[C@@H]1C2=N\C(=C(C)/C3=N[C@@](C)([C@]4([H])[N-]\C(=C(C)/C5=N/C(=C\2)/C(C)(C)[C@@H]5CCC(=O)N([H])[H])[C@](C)(CCC(=O)N([H])C[C@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]2O)N2C=NC5=C2C=C(C)C(C)=C5)[C@H]4CC(=O)N([H])[H])[C@@](C)(CC(=O)N([H])[H])[C@@H]3CCC(=O)N([H])[H])\[C@@]1(C)CC(=O)N([H])[H],DRUG_7376
7377,7377,7377,7377,7377,7377,7377,7377,DB00480,Lenalidomide,DrugBank,drug,NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O,DRUG_7377
7378,7378,7378,7378,7378,7378,7378,7378,DB01510,Dehydrochloromethyltestosterone,DrugBank,drug,,DRUG_7378
7379,7379,7379,7379,7379,7379,7379,7379,DB03174,Phosphonoacetaldehyde,DrugBank,drug,OP(O)(=O)CC=O,DRUG_7379
7380,7380,7380,7380,7380,7380,7380,7380,DB11848,Mannose 6-phosphate,DrugBank,drug,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)C=O,DRUG_7380
7381,7381,7381,7381,7381,7381,7381,7381,DB12577,Fosbretabulin,DrugBank,drug,COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1OP(O)(O)=O,DRUG_7381
7382,7382,7382,7382,7382,7382,7382,7382,DB08688,2-Undecanone,DrugBank,drug,CCCCCCCCCC(C)=O,DRUG_7382
7383,7383,7383,7383,7383,7383,7383,7383,DB13690,Vinyl ether,DrugBank,drug,C=COC=C,DRUG_7383
7384,7384,7384,7384,7384,7384,7384,7384,DB01297,Practolol,DrugBank,drug,CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1,DRUG_7384
7385,7385,7385,7385,7385,7385,7385,7385,DB06587,Mitemcinal,DrugBank,drug,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]([C@H]2O)N(C)C(C)C)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC,DRUG_7385
7386,7386,7386,7386,7386,7386,7386,7386,DB03158,"D-Myo-Inositol-1,4-Bisphosphate",DrugBank,drug,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,DRUG_7386
7387,7387,7387,7387,7387,7387,7387,7387,DB09217,Firocoxib,DrugBank,drug,CC1(C)OC(=O)C(OCC2CC2)=C1C1=CC=C(C=C1)S(C)(=O)=O,DRUG_7387
7388,7388,7388,7388,7388,7388,7388,7388,DB13265,Hexobendine,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN(C)CCN(C)CCCOC(=O)C1=CC(OC)=C(OC)C(OC)=C1,DRUG_7388
7389,7389,7389,7389,7389,7389,7389,7389,DB04263,Geneticin,DrugBank,drug,[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N,DRUG_7389
7390,7390,7390,7390,7390,7390,7390,7390,DB01010,Edrophonium,DrugBank,drug,CC[N+](C)(C)C1=CC(O)=CC=C1,DRUG_7390
7391,7391,7391,7391,7391,7391,7391,7391,DB02155,3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate,DrugBank,drug,[H]N([C@@H]1CN([H])CCC[C@H]1OC(=O)C1=CC=C(C=C1)C(=O)C1=C(O)C=CC(OC)=C1)C(=O)C1=CC([C@@H](C)CC)=C(O)C=C1,DRUG_7391
7392,7392,7392,7392,7392,7392,7392,7392,DB06891,"5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE",DrugBank,drug,NC1=C(F)C=C(C=C1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O,DRUG_7392
7393,7393,7393,7393,7393,7393,7393,7393,DB08201,(1S)-menthyl hexyl phosphonate group,DrugBank,drug,CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,DRUG_7393
7394,7394,7394,7394,7394,7394,7394,7394,DB12864,Melarsoprol,DrugBank,drug,NC1=NC(NC2=CC=C(C=C2)[As]2SCC(CO)S2)=NC(N)=N1,DRUG_7394
7395,7395,7395,7395,7395,7395,7395,7395,DB00121,Biotin,DrugBank,drug,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,DRUG_7395
7396,7396,7396,7396,7396,7396,7396,7396,DB00726,Trimipramine,DrugBank,drug,CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_7396
7397,7397,7397,7397,7397,7397,7397,7397,DB02833,[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine,DrugBank,drug,CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1,DRUG_7397
7398,7398,7398,7398,7398,7398,7398,7398,DB11156,Pyrantel,DrugBank,drug,[H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1,DRUG_7398
7399,7399,7399,7399,7399,7399,7399,7399,DB08028,"BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE",DrugBank,drug,ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C,DRUG_7399
7400,7400,7400,7400,7400,7400,7400,7400,DB03539,2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose,DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N=C,DRUG_7400
7401,7401,7401,7401,7401,7401,7401,7401,DB15102,Pemigatinib,DrugBank,drug,CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F,DRUG_7401
7402,7402,7402,7402,7402,7402,7402,7402,DB02541,4-Hydroxybutan-1-Aminium,DrugBank,drug,[NH3+]CCCCO,DRUG_7402
7403,7403,7403,7403,7403,7403,7403,7403,DB14752,Racephedrine,DrugBank,drug,CN[C@H](C)[C@@H](O)C1=CC=CC=C1,DRUG_7403
7404,7404,7404,7404,7404,7404,7404,7404,DB12768,BCG vaccine,DrugBank,drug,,DRUG_7404
7405,7405,7405,7405,7405,7405,7405,7405,DB07280,5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE,DrugBank,drug,CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1,DRUG_7405
7406,7406,7406,7406,7406,7406,7406,7406,DB09302,Alirocumab,DrugBank,drug,,DRUG_7406
7407,7407,7407,7407,7407,7407,7407,7407,DB05943,Resatorvid,DrugBank,drug,[H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1,DRUG_7407
7408,7408,7408,7408,7408,7408,7408,7408,DB06908,"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID",DrugBank,drug,[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O,DRUG_7408
7409,7409,7409,7409,7409,7409,7409,7409,DB01388,Mibefradil,DrugBank,drug,COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C,DRUG_7409
7410,7410,7410,7410,7410,7410,7410,7410,DB07969,3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol,DrugBank,drug,CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1,DRUG_7410
7411,7411,7411,7411,7411,7411,7411,7411,DB06595,Midostaurin,DrugBank,drug,CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1,DRUG_7411
7412,7412,7412,7412,7412,7412,7412,7412,DB19129,Inupadenant,DrugBank,drug,C[S@+]([O-])CCOC1=CC(N2CCN(CCN3C(=O)SC4=C3N=C(N)N3N=C(N=C43)C3=CC=CO3)CC2)=C(F)C=C1F,DRUG_7412
7413,7413,7413,7413,7413,7413,7413,7413,DB09237,Levamlodipine,DrugBank,drug,CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC,DRUG_7413
7414,7414,7414,7414,7414,7414,7414,7414,DB04578,"(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide",DrugBank,drug,[H][C@](N)(CC(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(N)=O)CC1=CC=CC=C1F,DRUG_7414
7415,7415,7415,7415,7415,7415,7415,7415,DB03414,5-Thio-a/B-D-Mannopyranosylamine,DrugBank,drug,[H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,DRUG_7415
7416,7416,7416,7416,7416,7416,7416,7416,DB02622,2-(Oxalyl-Amino)-Benzoic Acid,DrugBank,drug,OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O,DRUG_7416
7417,7417,7417,7417,7417,7417,7417,7417,DB03187,6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid,DrugBank,drug,[H][C@](CCCCC(O)=O)(CCSCN)SSCCO,DRUG_7417
7418,7418,7418,7418,7418,7418,7418,7418,DB04436,3-Fluoro-L-tyrosine,DrugBank,drug,N[C@@H](CC1=CC(F)=C(O)C=C1)C(O)=O,DRUG_7418
7419,7419,7419,7419,7419,7419,7419,7419,DB12141,Gilteritinib,DrugBank,drug,CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O,DRUG_7419
7420,7420,7420,7420,7420,7420,7420,7420,DB06791,Lanreotide,DrugBank,drug,[H]N([H])CCCCC1N([H])C(=O)C(CC2=CN([H])C3=CC=CC=C23)N([H])C(=O)C(CC2=CC=C(O)C=C2)N([H])C(=O)C(CSSCC(N([H])C(=O)C(N([H])C1=O)C(C)C)C(=O)N([H])C(C(C)O)C(=O)N([H])[H])N([H])C(=O)C(CC1=CC2=CC=CC=C2C=C1)N([H])[H],DRUG_7420
7421,7421,7421,7421,7421,7421,7421,7421,DB07606,"6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE",DrugBank,drug,CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl,DRUG_7421
7422,7422,7422,7422,7422,7422,7422,7422,DB12190,Faropenem,DrugBank,drug,[H][C@]12SC([C@H]3CCCO3)=C(N1C(=O)[C@@H]2[C@@H](C)O)C(O)=O,DRUG_7422
7423,7423,7423,7423,7423,7423,7423,7423,DB07189,"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid",DrugBank,drug,[H][C@@]1(C[C@@]11C[C@]([H])(NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1)C(O)=O,DRUG_7423
7424,7424,7424,7424,7424,7424,7424,7424,DB06711,Naphazoline,DrugBank,drug,C(C1=NCCN1)C1=CC=CC2=CC=CC=C12,DRUG_7424
7425,7425,7425,7425,7425,7425,7425,7425,DB01978,"7,9-Dimethylguanine",DrugBank,drug,[H][C@@]1(N)NC2=C([N+](C)=CN2C)[C@]([H])(O)N1,DRUG_7425
7426,7426,7426,7426,7426,7426,7426,7426,DB13172,Tunicamycin,DrugBank,drug,,DRUG_7426
7427,7427,7427,7427,7427,7427,7427,7427,DB03374,"3,5-Diiodotyrosine",DrugBank,drug,[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,DRUG_7427
7428,7428,7428,7428,7428,7428,7428,7428,DB06400,Vitespen,DrugBank,drug,,DRUG_7428
7429,7429,7429,7429,7429,7429,7429,7429,DB13254,Prifinium,DrugBank,drug,CC[N+]1(CC)CCC(C1C)=C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7429
7430,7430,7430,7430,7430,7430,7430,7430,DB11637,Delamanid,DrugBank,drug,C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN2C=C(N=C2O1)[N+]([O-])=O,DRUG_7430
7431,7431,7431,7431,7431,7431,7431,7431,DB07265,"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID",DrugBank,drug,OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1,DRUG_7431
7432,7432,7432,7432,7432,7432,7432,7432,DB03616,Kabiramide C,DrugBank,drug,[H]\C(=C(\[H])[C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@]([H])(C[C@]([H])(C)C[C@]([H])(O)[C@]([H])(C)[C@@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)O[C@]([H])(N)O)OC)N(C)CO,DRUG_7432
7433,7433,7433,7433,7433,7433,7433,7433,DB00609,Ethionamide,DrugBank,drug,CCC1=NC=CC(=C1)C(N)=S,DRUG_7433
7434,7434,7434,7434,7434,7434,7434,7434,DB09395,Sodium acetate,DrugBank,drug,[Na+].CC([O-])=O,DRUG_7434
7435,7435,7435,7435,7435,7435,7435,7435,DB14568,Ivosidenib,DrugBank,drug,[H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1,DRUG_7435
7436,7436,7436,7436,7436,7436,7436,7436,DB08653,Tryptamine,DrugBank,drug,NCCC1=CNC2=CC=CC=C12,DRUG_7436
7437,7437,7437,7437,7437,7437,7437,7437,DB02046,N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid,DrugBank,drug,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O,DRUG_7437
7438,7438,7438,7438,7438,7438,7438,7438,DB09422,Soybean oil,DrugBank,drug,,DRUG_7438
7439,7439,7439,7439,7439,7439,7439,7439,DB12183,Sapitinib,DrugBank,drug,CNC(=O)CN1CCC(CC1)OC1=C(OC)C=C2N=CN=C(NC3=CC=CC(Cl)=C3F)C2=C1,DRUG_7439
7440,7440,7440,7440,7440,7440,7440,7440,DB08899,Enzalutamide,DrugBank,drug,CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F,DRUG_7440
7441,7441,7441,7441,7441,7441,7441,7441,DB07173,"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE",DrugBank,drug,[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_7441
7442,7442,7442,7442,7442,7442,7442,7442,DB11543,Romifidine,DrugBank,drug,FC1=CC=CC(Br)=C1NC1=NCCN1,DRUG_7442
7443,7443,7443,7443,7443,7443,7443,7443,DB13678,Dihexyverine,DrugBank,drug,O=C(OCCN1CCCCC1)C1(CCCCC1)C1CCCCC1,DRUG_7443
7444,7444,7444,7444,7444,7444,7444,7444,DB11756,Solanezumab,DrugBank,drug,,DRUG_7444
7445,7445,7445,7445,7445,7445,7445,7445,DB02746,Phthalic Acid,DrugBank,drug,OC(=O)C1=CC=CC=C1C(O)=O,DRUG_7445
7446,7446,7446,7446,7446,7446,7446,7446,DB13524,Propyphenazone,DrugBank,drug,CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,DRUG_7446
7447,7447,7447,7447,7447,7447,7447,7447,DB03060,Sri-9662,DrugBank,drug,COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1,DRUG_7447
7448,7448,7448,7448,7448,7448,7448,7448,DB06442,Avasimibe,DrugBank,drug,CC(C)C1=CC(C(C)C)=C(CC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(=C1)C(C)C,DRUG_7448
7449,7449,7449,7449,7449,7449,7449,7449,DB08270,"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE",DrugBank,drug,[H][C@@](CC(C)C)(N[C@@]([H])(C1=CC=C(C=C1)C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F)C(=O)NCCN,DRUG_7449
7450,7450,7450,7450,7450,7450,7450,7450,DB07034,"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID",DrugBank,drug,ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2,DRUG_7450
7451,7451,7451,7451,7451,7451,7451,7451,DB00811,Ribavirin,DrugBank,drug,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_7451
7452,7452,7452,7452,7452,7452,7452,7452,DB00503,Ritonavir,DrugBank,drug,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1,DRUG_7452
7453,7453,7453,7453,7453,7453,7453,7453,DB18267,Ferroheme,DrugBank,drug,[Fe++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,DRUG_7453
7454,7454,7454,7454,7454,7454,7454,7454,DB04685,"1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE",DrugBank,drug,[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C=CC(=O)NC1=O,DRUG_7454
7455,7455,7455,7455,7455,7455,7455,7455,DB04563,CRA_9678,DrugBank,drug,NC(=N)C1=CC2=C(NC(=C2)C2=C(O)C(Br)=CC(CC([O-])=O)=C2)C=C1,DRUG_7455
7456,7456,7456,7456,7456,7456,7456,7456,DB03967,Dodecyl sulfate,DrugBank,drug,CCCCCCCCCCCCOS(O)(=O)=O,DRUG_7456
7457,7457,7457,7457,7457,7457,7457,7457,DB04175,Mdl-29951,DrugBank,drug,OC(=O)CCC1=C(NC2=C1C(Cl)=CC(Cl)=C2)C(O)=O,DRUG_7457
7458,7458,7458,7458,7458,7458,7458,7458,DB18761,Zotarolimus,DrugBank,drug,[H][C@@]12CC[C@@H](C)[C@@](O)(O1)C(=O)C(=O)N1CCCC[C@@]1([H])C(=O)O[C@@]([H])(CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C2)OC)[C@H](C)C[C@@H]1CC[C@@H]([C@@H](C1)OC)N1C=NN=N1,DRUG_7458
7459,7459,7459,7459,7459,7459,7459,7459,DB05971,Archexin,DrugBank,drug,,DRUG_7459
7460,7460,7460,7460,7460,7460,7460,7460,DB05204,XL418,DrugBank,drug,,DRUG_7460
7461,7461,7461,7461,7461,7461,7461,7461,DB13869,2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol,DrugBank,drug,COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1,DRUG_7461
7462,7462,7462,7462,7462,7462,7462,7462,DB01141,Micafungin,DrugBank,drug,CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O,DRUG_7462
7463,7463,7463,7463,7463,7463,7463,7463,DB16371,Glofitamab,DrugBank,drug,,DRUG_7463
7464,7464,7464,7464,7464,7464,7464,7464,DB03227,Nicotinamide Mononucleotide,DrugBank,drug,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O,DRUG_7464
7465,7465,7465,7465,7465,7465,7465,7465,DB02744,RPR131247,DrugBank,drug,NC(=N)C1=CC=C(O)C(CN2CC[C@H](NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)=C1,DRUG_7465
7466,7466,7466,7466,7466,7466,7466,7466,DB13808,Mebhydrolin,DrugBank,drug,CN1CCC2=C(C1)C1=CC=CC=C1N2CC1=CC=CC=C1,DRUG_7466
7467,7467,7467,7467,7467,7467,7467,7467,DB02789,Pregnenolone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,DRUG_7467
7468,7468,7468,7468,7468,7468,7468,7468,DB04276,4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCC[NH+]=C(N)N,DRUG_7468
7469,7469,7469,7469,7469,7469,7469,7469,DB08360,"2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DrugBank,drug,CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N,DRUG_7469
7470,7470,7470,7470,7470,7470,7470,7470,DB07096,"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE",DrugBank,drug,NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23,DRUG_7470
7471,7471,7471,7471,7471,7471,7471,7471,DB12084,ADP-597,DrugBank,drug,COC1=C(NC2=C(C)N=C(C=C2)S(C)(=O)=O)N=CN=C1OC1CCN(CC1)C(=O)OC(C)C,DRUG_7471
7472,7472,7472,7472,7472,7472,7472,7472,DB00175,Pravastatin,DrugBank,drug,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,DRUG_7472
7473,7473,7473,7473,7473,7473,7473,7473,DB12926,Cafedrine,DrugBank,drug,C[C@H](NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)[C@H](O)C1=CC=CC=C1,DRUG_7473
7474,7474,7474,7474,7474,7474,7474,7474,DB14031,Tretamine,DrugBank,drug,C1CN1C1=NC(=NC(=N1)N1CC1)N1CC1,DRUG_7474
7475,7475,7475,7475,7475,7475,7475,7475,DB08135,N-phenyl-1H-pyrazole-3-carboxamide,DrugBank,drug,O=C(NC1=CC=CC=C1)C1=NNC=C1,DRUG_7475
7476,7476,7476,7476,7476,7476,7476,7476,DB03860,ICI-164384,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H],DRUG_7476
7477,7477,7477,7477,7477,7477,7477,7477,DB12647,Tocotrienol,DrugBank,drug,CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC=C2O1,DRUG_7477
7478,7478,7478,7478,7478,7478,7478,7478,DB04394,3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(N2CCCC2=O)C(=C1)[N+]([O-])=O,DRUG_7478
7479,7479,7479,7479,7479,7479,7479,7479,DB02783,4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O,DRUG_7479
7480,7480,7480,7480,7480,7480,7480,7480,DB02185,"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One",DrugBank,drug,[H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O,DRUG_7480
7481,7481,7481,7481,7481,7481,7481,7481,DB03637,Guanidine-3-propanol,DrugBank,drug,[H]N([H])C(N([H])[H])=[N+]([H])CCCO,DRUG_7481
7482,7482,7482,7482,7482,7482,7482,7482,DB11161,Polyethylene glycol 300,DrugBank,drug,,DRUG_7482
7483,7483,7483,7483,7483,7483,7483,7483,DB15453,Naratuximab emtansine,DrugBank,drug,,DRUG_7483
7484,7484,7484,7484,7484,7484,7484,7484,DB05831,ING-1,DrugBank,drug,,DRUG_7484
7485,7485,7485,7485,7485,7485,7485,7485,DB01955,"1,4-Butanediol",DrugBank,drug,OCCCCO,DRUG_7485
7486,7486,7486,7486,7486,7486,7486,7486,DB04480,"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole",DrugBank,drug,CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1,DRUG_7486
7487,7487,7487,7487,7487,7487,7487,7487,DB08491,N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE,DrugBank,drug,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_7487
7488,7488,7488,7488,7488,7488,7488,7488,DB07115,"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide",DrugBank,drug,CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_7488
7489,7489,7489,7489,7489,7489,7489,7489,DB05478,Pradefovir mesylate,DrugBank,drug,CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C3=CC(Cl)=CC=C3)C2=NC=N1,DRUG_7489
7490,7490,7490,7490,7490,7490,7490,7490,DB09167,Dosulepin,DrugBank,drug,CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12,DRUG_7490
7491,7491,7491,7491,7491,7491,7491,7491,DB00871,Terbutaline,DrugBank,drug,CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1,DRUG_7491
7492,7492,7492,7492,7492,7492,7492,7492,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",DrugBank,drug,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1,DRUG_7492
7493,7493,7493,7493,7493,7493,7493,7493,DB11953,PF-04447943,DrugBank,drug,C[C@@H]1CN(CC2=NC=CC=N2)C[C@H]1C1=NC2=C(C=NN2C2CCOCC2)C(=O)N1,DRUG_7493
7494,7494,7494,7494,7494,7494,7494,7494,DB04853,Binodenoson,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=C(N\N=C\C3CCCCC3)N=C12,DRUG_7494
7495,7495,7495,7495,7495,7495,7495,7495,DB07387,3-(BUTYLSULPHONYL)-PROPANOIC ACID,DrugBank,drug,CCCCS(=O)(=O)CCC(O)=O,DRUG_7495
7496,7496,7496,7496,7496,7496,7496,7496,DB12150,Pelubiprofen,DrugBank,drug,[H]\C(C1=CC=C(C=C1)C(C)C(O)=O)=C1\CCCCC1=O,DRUG_7496
7497,7497,7497,7497,7497,7497,7497,7497,DB06720,Velaglucerase alfa,DrugBank,drug,,DRUG_7497
7498,7498,7498,7498,7498,7498,7498,7498,DB08220,"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid",DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1,DRUG_7498
7499,7499,7499,7499,7499,7499,7499,7499,DB12820,Concizumab,DrugBank,drug,,DRUG_7499
7500,7500,7500,7500,7500,7500,7500,7500,DB13414,Fenyramidol,DrugBank,drug,OC(CNC1=NC=CC=C1)C1=CC=CC=C1,DRUG_7500
7501,7501,7501,7501,7501,7501,7501,7501,DB15163,Selatogrel,DrugBank,drug,CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C1=CC(=NC(=N1)C1=CC=CC=C1)N1CC[C@@H](C1)OC,DRUG_7501
7502,7502,7502,7502,7502,7502,7502,7502,DB06999,PLX-4720,DrugBank,drug,CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(Cl)C=N3)=C1F,DRUG_7502
7503,7503,7503,7503,7503,7503,7503,7503,DB19169,Pamapimod,DrugBank,drug,CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=CN=C(NC(CCO)CCO)N=C12,DRUG_7503
7504,7504,7504,7504,7504,7504,7504,7504,DB01093,Dimethyl sulfoxide,DrugBank,drug,CS(C)=O,DRUG_7504
7505,7505,7505,7505,7505,7505,7505,7505,DB07078,"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE",DrugBank,drug,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2,DRUG_7505
7506,7506,7506,7506,7506,7506,7506,7506,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",DrugBank,drug,CC1=CC(NC(=O)NC2=NC=C(CCNC3=CC(NC4=NC=NN4)=NC=N3)S2)=C(O1)C(F)(F)F,DRUG_7506
7507,7507,7507,7507,7507,7507,7507,7507,DB10963,Phalaris minor pollen,DrugBank,drug,,DRUG_7507
7508,7508,7508,7508,7508,7508,7508,7508,DB07197,4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID,DrugBank,drug,OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O,DRUG_7508
7509,7509,7509,7509,7509,7509,7509,7509,DB12073,Albaconazole,DrugBank,drug,C[C@@H](N1C=NC2=CC(Cl)=CC=C2C1=O)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F,DRUG_7509
7510,7510,7510,7510,7510,7510,7510,7510,DB04889,Bicifadine,DrugBank,drug,CC1=CC=C(C=C1)C12CC1CNC2,DRUG_7510
7511,7511,7511,7511,7511,7511,7511,7511,DB00968,Methyldopa,DrugBank,drug,C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O,DRUG_7511
7512,7512,7512,7512,7512,7512,7512,7512,DB13199,Brinase,DrugBank,drug,,DRUG_7512
7513,7513,7513,7513,7513,7513,7513,7513,DB11948,Lapachone,DrugBank,drug,CC1(C)CCC2=C(O1)C1=CC=CC=C1C(=O)C2=O,DRUG_7513
7514,7514,7514,7514,7514,7514,7514,7514,DB12858,LY-377604,DrugBank,drug,CC(C)(CC1=CC=C(OC2=CC=C(C=N2)C(N)=O)C=C1)NC[C@H](O)COC1=CC=CC2=C1C1=C(N2)C=CC=C1,DRUG_7514
7515,7515,7515,7515,7515,7515,7515,7515,DB07957,METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE,DrugBank,drug,[H][C@](OC(C)=O)(C(=O)OC)C1=CC=C(N)C=C1C(O)=O,DRUG_7515
7516,7516,7516,7516,7516,7516,7516,7516,DB07292,"4-(2-amino-1,3-thiazol-4-yl)phenol",DrugBank,drug,NC1=NC(=CS1)C1=CC=C(O)C=C1,DRUG_7516
7517,7517,7517,7517,7517,7517,7517,7517,DB07142,"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DrugBank,drug,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1,DRUG_7517
7518,7518,7518,7518,7518,7518,7518,7518,DB09300,Butylscopolamine,DrugBank,drug,CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_7518
7519,7519,7519,7519,7519,7519,7519,7519,DB04719,"DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE",DrugBank,drug,CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1,DRUG_7519
7520,7520,7520,7520,7520,7520,7520,7520,DB02027,N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine,DrugBank,drug,NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O,DRUG_7520
7521,7521,7521,7521,7521,7521,7521,7521,DB08951,Indoprofen,DrugBank,drug,CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O,DRUG_7521
7522,7522,7522,7522,7522,7522,7522,7522,DB00422,Methylphenidate,DrugBank,drug,COC(=O)C(C1CCCCN1)C1=CC=CC=C1,DRUG_7522
7523,7523,7523,7523,7523,7523,7523,7523,DB07929,"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE",DrugBank,drug,CC1=CC(=CC(C)=C1)C(=O)N(NC(=O)C1=C(C)C2=C(OCCO2)C=C1)C(C)(C)C,DRUG_7523
7524,7524,7524,7524,7524,7524,7524,7524,DB14679,Quingestanol acetate,DrugBank,drug,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(OC4CCCC4)=CC3=CC[C@@]21[H],DRUG_7524
7525,7525,7525,7525,7525,7525,7525,7525,DB13140,Bezlotoxumab,DrugBank,drug,,DRUG_7525
7526,7526,7526,7526,7526,7526,7526,7526,DB11660,Latanoprostene bunod,DrugBank,drug,O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1,DRUG_7526
7527,7527,7527,7527,7527,7527,7527,7527,DB09334,Seractide acetate,DrugBank,drug,,DRUG_7527
7528,7528,7528,7528,7528,7528,7528,7528,DB11960,Carboxyamidotriazole,DrugBank,drug,NC(=O)C1=C(N)N(CC2=CC(Cl)=C(C(=O)C3=CC=C(Cl)C=C3)C(Cl)=C2)N=N1,DRUG_7528
7529,7529,7529,7529,7529,7529,7529,7529,DB12089,Lorvotuzumab mertansine,DrugBank,drug,,DRUG_7529
7530,7530,7530,7530,7530,7530,7530,7530,DB01415,Ceftibuten,DrugBank,drug,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O,DRUG_7530
7531,7531,7531,7531,7531,7531,7531,7531,DB06682,Naproxcinod,DrugBank,drug,COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C(=O)OCCCCO[N+]([O-])=O,DRUG_7531
7532,7532,7532,7532,7532,7532,7532,7532,DB00267,Cefmenoxime,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_7532
7533,7533,7533,7533,7533,7533,7533,7533,DB12643,Nelivaptan,DrugBank,drug,[H][C@]1(O)CN([C@@]([H])(C1)C(=O)N(C)C)[C@@]1(C(=O)N(C2=C1C=C(Cl)C=C2)S(=O)(=O)C1=C(OC)C=C(OC)C=C1)C1=CC=CC=C1OC,DRUG_7533
7534,7534,7534,7534,7534,7534,7534,7534,DB12026,Voxilaprevir,DrugBank,drug,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)C1=C(O2)N=C2C=C(OC)C=CC2=N1)C(C)(C)C,DRUG_7534
7535,7535,7535,7535,7535,7535,7535,7535,DB06948,2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE,DrugBank,drug,C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1,DRUG_7535
7536,7536,7536,7536,7536,7536,7536,7536,DB15427,Fialuridine,DrugBank,drug,OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N1C=C(I)C(=O)NC1=O,DRUG_7536
7537,7537,7537,7537,7537,7537,7537,7537,DB12562,Setipiprant,DrugBank,drug,OC(=O)CN1C2=C(CN(CC2)C(=O)C2=CC=CC3=CC=CC=C23)C2=CC(F)=CC=C12,DRUG_7537
7538,7538,7538,7538,7538,7538,7538,7538,DB12610,Ebselen,DrugBank,drug,O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1,DRUG_7538
7539,7539,7539,7539,7539,7539,7539,7539,DB06912,"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE",DrugBank,drug,O=CCCCC=C(CCC=C(CCC=O)C=O)C=O,DRUG_7539
7540,7540,7540,7540,7540,7540,7540,7540,DB13037,Namilumab,DrugBank,drug,,DRUG_7540
7541,7541,7541,7541,7541,7541,7541,7541,DB01917,Putrescine,DrugBank,drug,NCCCCN,DRUG_7541
7542,7542,7542,7542,7542,7542,7542,7542,DB00193,Tramadol,DrugBank,drug,COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C,DRUG_7542
7543,7543,7543,7543,7543,7543,7543,7543,DB11697,Pacritinib,DrugBank,drug,C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3,DRUG_7543
7544,7544,7544,7544,7544,7544,7544,7544,DB11118,Ammonia,DrugBank,drug,,DRUG_7544
7545,7545,7545,7545,7545,7545,7545,7545,DB12159,Dupilumab,DrugBank,drug,,DRUG_7545
7546,7546,7546,7546,7546,7546,7546,7546,DB00053,Imiglucerase,DrugBank,drug,,DRUG_7546
7547,7547,7547,7547,7547,7547,7547,7547,DB07849,S-NONYL-CYSTEINE,DrugBank,drug,[H][C@](N)(CSCCCCCCCCC)C(O)=O,DRUG_7547
7548,7548,7548,7548,7548,7548,7548,7548,DB00705,Delavirdine,DrugBank,drug,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2,DRUG_7548
7549,7549,7549,7549,7549,7549,7549,7549,DB12667,Protionamide,DrugBank,drug,CCCC1=CC(=CC=N1)C(N)=S,DRUG_7549
7550,7550,7550,7550,7550,7550,7550,7550,DB11862,Landogrozumab,DrugBank,drug,,DRUG_7550
7551,7551,7551,7551,7551,7551,7551,7551,DB03394,Heptaethylene glycol,DrugBank,drug,OCCOCCOCCOCCOCCOCCOCCO,DRUG_7551
7552,7552,7552,7552,7552,7552,7552,7552,DB16296,IPI-549,DrugBank,drug,C[C@H](NC(=O)C1=C2N=CC=CN2N=C1N)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(=CC=C2)C#CC1=CN(C)N=C1,DRUG_7552
7553,7553,7553,7553,7553,7553,7553,7553,DB00605,Sulindac,DrugBank,drug,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O,DRUG_7553
7554,7554,7554,7554,7554,7554,7554,7554,DB00782,Propantheline,DrugBank,drug,CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C,DRUG_7554
7555,7555,7555,7555,7555,7555,7555,7555,DB01709,2-phospho-D-glyceric acid,DrugBank,drug,OC[C@@H](OP(O)(O)=O)C(O)=O,DRUG_7555
7556,7556,7556,7556,7556,7556,7556,7556,DB00636,Clofibrate,DrugBank,drug,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,DRUG_7556
7557,7557,7557,7557,7557,7557,7557,7557,DB07840,"(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol",DrugBank,drug,COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1,DRUG_7557
7558,7558,7558,7558,7558,7558,7558,7558,DB16390,Mobocertinib,DrugBank,drug,COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,DRUG_7558
7559,7559,7559,7559,7559,7559,7559,7559,DB01183,Naloxone,DrugBank,drug,OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O,DRUG_7559
7560,7560,7560,7560,7560,7560,7560,7560,DB11934,Epelsiban,DrugBank,drug,CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)C2=CC=C(C)N=C2C)C(=O)[C@H](NC1=O)C1CC2=CC=CC=C2C1,DRUG_7560
7561,7561,7561,7561,7561,7561,7561,7561,DB03686,S-(4-nitrobenzyl)glutathione,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,DRUG_7561
7562,7562,7562,7562,7562,7562,7562,7562,DB03633,Lpc-Ether,DrugBank,drug,CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C,DRUG_7562
7563,7563,7563,7563,7563,7563,7563,7563,DB11373,Amitraz,DrugBank,drug,CN(\C=N\C1=C(C)C=C(C)C=C1)\C=N\C1=C(C)C=C(C)C=C1,DRUG_7563
7564,7564,7564,7564,7564,7564,7564,7564,DB04564,Gluconolactone,DrugBank,drug,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_7564
7565,7565,7565,7565,7565,7565,7565,7565,DB08739,"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione",DrugBank,drug,[H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1,DRUG_7565
7566,7566,7566,7566,7566,7566,7566,7566,DB06410,Doxercalciferol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C,DRUG_7566
7567,7567,7567,7567,7567,7567,7567,7567,DB10716,Urochloa mutica pollen,DrugBank,drug,,DRUG_7567
7568,7568,7568,7568,7568,7568,7568,7568,DB05103,AN-9,DrugBank,drug,CCCC(=O)OCOC(=O)C(C)(C)C,DRUG_7568
7569,7569,7569,7569,7569,7569,7569,7569,DB09184,Edivoxetine,DrugBank,drug,[H][C@]1(CNCCO1)[C@@](O)(CC1=C(OC)C=CC(F)=C1)C1CCOCC1,DRUG_7569
7570,7570,7570,7570,7570,7570,7570,7570,DB13283,Sulfaisodimidine,DrugBank,drug,CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC(C)=N1,DRUG_7570
7571,7571,7571,7571,7571,7571,7571,7571,DB00601,Linezolid,DrugBank,drug,CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCOCC1,DRUG_7571
7572,7572,7572,7572,7572,7572,7572,7572,DB08871,Eribulin,DrugBank,drug,[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2,DRUG_7572
7573,7573,7573,7573,7573,7573,7573,7573,DB08450,N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine,DrugBank,drug,CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1,DRUG_7573
7574,7574,7574,7574,7574,7574,7574,7574,DB11888,Laninamivir octanoate,DrugBank,drug,[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC)[C@H](O)COC(=O)CCCCCCC,DRUG_7574
7575,7575,7575,7575,7575,7575,7575,7575,DB01259,Lapatinib,DrugBank,drug,CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1,DRUG_7575
7576,7576,7576,7576,7576,7576,7576,7576,DB12608,Emixustat,DrugBank,drug,NCC[C@@H](O)C1=CC(OCC2CCCCC2)=CC=C1,DRUG_7576
7577,7577,7577,7577,7577,7577,7577,7577,DB11970,Burixafor,DrugBank,drug,NC1=NC(NC[C@H]2CC[C@H](CNCCCNC3CCCCC3)CC2)=NC(=C1)N1CCN(CCP(O)(O)=O)CC1,DRUG_7577
7578,7578,7578,7578,7578,7578,7578,7578,DB06072,Citatuzumab Bogatox,DrugBank,drug,,DRUG_7578
7579,7579,7579,7579,7579,7579,7579,7579,DB14077,Magnesium stearate,DrugBank,drug,[Mg++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O,DRUG_7579
7580,7580,7580,7580,7580,7580,7580,7580,DB03451,Lexacalcitol,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)OCCCC(O)(CC)CC,DRUG_7580
7581,7581,7581,7581,7581,7581,7581,7581,DB08026,"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide",DrugBank,drug,CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12,DRUG_7581
7582,7582,7582,7582,7582,7582,7582,7582,DB12095,Telotristat ethyl,DrugBank,drug,CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1,DRUG_7582
7583,7583,7583,7583,7583,7583,7583,7583,DB12261,Ascrinvacumab,DrugBank,drug,,DRUG_7583
7584,7584,7584,7584,7584,7584,7584,7584,DB15413,Pafolacianine,DrugBank,drug,CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS(O)(=O)=O)C4=C(C=C(C=C4)S([O-])(=O)=O)C3(C)C)=C2OC2=CC=C(C[C@H](NC(=O)C3=CC=C(NCC4=CN=C5N=C(N)NC(=O)C5=N4)C=C3)C(O)=O)C=C2)N(CCCCS(O)(=O)=O)C2=C1C=C(C=C2)S(O)(=O)=O,DRUG_7584
7585,7585,7585,7585,7585,7585,7585,7585,DB04967,Lucanthone,DrugBank,drug,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1,DRUG_7585
7586,7586,7586,7586,7586,7586,7586,7586,DB07657,PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER,DrugBank,drug,[H][C@@](CCCC)(CO[P@](O)(=O)OCCO)NC(=O)CCCCCCCCCCC,DRUG_7586
7587,7587,7587,7587,7587,7587,7587,7587,DB13527,Proglumetacin,DrugBank,drug,CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)CC2=C(C)N(C(=O)C3=CC=C(Cl)C=C3)C3=C2C=C(OC)C=C3)CC1)NC(=O)C1=CC=CC=C1,DRUG_7587
7588,7588,7588,7588,7588,7588,7588,7588,DB04339,Carbocisteine,DrugBank,drug,N[C@@H](CSCC(O)=O)C(O)=O,DRUG_7588
7589,7589,7589,7589,7589,7589,7589,7589,DB11871,PF-00610355,DrugBank,drug,CC(C)(CC1=CC=CC(CC(=O)NCC2=CC=CC(=C2)C2=CC=C(O)C=C2)=C1)NC[C@H](O)C1=CC=C(O)C(NS(C)(=O)=O)=C1,DRUG_7589
7590,7590,7590,7590,7590,7590,7590,7590,DB12366,Vestronidase alfa,DrugBank,drug,,DRUG_7590
7591,7591,7591,7591,7591,7591,7591,7591,DB08210,"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE",DrugBank,drug,CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F,DRUG_7591
7592,7592,7592,7592,7592,7592,7592,7592,DB00544,Fluorouracil,DrugBank,drug,FC1=CNC(=O)NC1=O,DRUG_7592
7593,7593,7593,7593,7593,7593,7593,7593,DB08098,"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid",DrugBank,drug,OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O,DRUG_7593
7594,7594,7594,7594,7594,7594,7594,7594,DB16754,TPMPA,DrugBank,drug,CP(O)(=O)C1=CCNCC1,DRUG_7594
7595,7595,7595,7595,7595,7595,7595,7595,DB00678,Losartan,DrugBank,drug,CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,DRUG_7595
7596,7596,7596,7596,7596,7596,7596,7596,DB03376,5'-O-(N-(Alanyl)sulfamoyl)adenosine,DrugBank,drug,[H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],DRUG_7596
7597,7597,7597,7597,7597,7597,7597,7597,DB12355,Netazepide,DrugBank,drug,CNC1=CC(NC(=O)N[C@@H]2N=C(C3=CC=CC=N3)C3=CC=CC=C3N(CC(=O)C(C)(C)C)C2=O)=CC=C1,DRUG_7597
7598,7598,7598,7598,7598,7598,7598,7598,DB00928,Azacitidine,DrugBank,drug,NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,DRUG_7598
7599,7599,7599,7599,7599,7599,7599,7599,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",DrugBank,drug,NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@@H](COP(O)(O)=O)C2=C3S[Mo](S)(=O)(=O)S2)C(=O)N1,DRUG_7599
7600,7600,7600,7600,7600,7600,7600,7600,DB13645,Ethacizine,DrugBank,drug,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN(CC)CC)C=C1,DRUG_7600
7601,7601,7601,7601,7601,7601,7601,7601,DB11447,Phenothiazine,DrugBank,drug,N1C2=CC=CC=C2SC2=CC=CC=C12,DRUG_7601
7602,7602,7602,7602,7602,7602,7602,7602,DB03639,1-Guanidinium-7-Aminoheptane,DrugBank,drug,NCCCCCCCNC(N)N,DRUG_7602
7603,7603,7603,7603,7603,7603,7603,7603,DB17525,Zanzalintinib,DrugBank,drug,CNC(=O)C1=CC2=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)C=CN=C2C=C1OC,DRUG_7603
7604,7604,7604,7604,7604,7604,7604,7604,DB09047,Finafloxacin,DrugBank,drug,[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O,DRUG_7604
7605,7605,7605,7605,7605,7605,7605,7605,DB08527,"1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE",DrugBank,drug,NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_7605
7606,7606,7606,7606,7606,7606,7606,7606,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",DrugBank,drug,[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,DRUG_7606
7607,7607,7607,7607,7607,7607,7607,7607,DB00616,Candoxatril,DrugBank,drug,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1,DRUG_7607
7608,7608,7608,7608,7608,7608,7608,7608,DB02282,5'-S-methyl-5'-thioadenosine,DrugBank,drug,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,DRUG_7608
7609,7609,7609,7609,7609,7609,7609,7609,DB13277,Benziodarone,DrugBank,drug,CCC1=C(C(=O)C2=CC(I)=C(O)C(I)=C2)C2=CC=CC=C2O1,DRUG_7609
7610,7610,7610,7610,7610,7610,7610,7610,DB03126,Mant-Adp,DrugBank,drug,[H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12,DRUG_7610
7611,7611,7611,7611,7611,7611,7611,7611,DB04759,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)",DrugBank,drug,CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1,DRUG_7611
7612,7612,7612,7612,7612,7612,7612,7612,DB04416,"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid",DrugBank,drug,[H][C@](CC#CCOC)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)C(O)=O,DRUG_7612
7613,7613,7613,7613,7613,7613,7613,7613,DB13253,Proxibarbal,DrugBank,drug,CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O,DRUG_7613
7614,7614,7614,7614,7614,7614,7614,7614,DB13080,Roluperidone,DrugBank,drug,FC1=CC=C(C=C1)C(=O)CN1CCC(CN2CC3=CC=CC=C3C2=O)CC1,DRUG_7614
7615,7615,7615,7615,7615,7615,7615,7615,DB04890,Bepotastine,DrugBank,drug,OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,DRUG_7615
7616,7616,7616,7616,7616,7616,7616,7616,DB08922,Perospirone,DrugBank,drug,[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O,DRUG_7616
7617,7617,7617,7617,7617,7617,7617,7617,DB00244,Mesalazine,DrugBank,drug,NC1=CC(C(O)=O)=C(O)C=C1,DRUG_7617
7618,7618,7618,7618,7618,7618,7618,7618,DB08191,"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1,DRUG_7618
7619,7619,7619,7619,7619,7619,7619,7619,DB03971,Acarbose Derived Hexasaccharide,DrugBank,drug,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,DRUG_7619
7620,7620,7620,7620,7620,7620,7620,7620,DB13234,Propanidid,DrugBank,drug,CCCOC(=O)CC1=CC(OC)=C(OCC(=O)N(CC)CC)C=C1,DRUG_7620
7621,7621,7621,7621,7621,7621,7621,7621,DB13873,Fenofibric acid,DrugBank,drug,CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O,DRUG_7621
7622,7622,7622,7622,7622,7622,7622,7622,DB05736,MIV-701,DrugBank,drug,,DRUG_7622
7623,7623,7623,7623,7623,7623,7623,7623,DB14094,Tocopherylquinone,DrugBank,drug,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O,DRUG_7623
7624,7624,7624,7624,7624,7624,7624,7624,DB03428,SU9516,DrugBank,drug,COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1,DRUG_7624
7625,7625,7625,7625,7625,7625,7625,7625,DB08576,"1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE",DrugBank,drug,CNCC(=O)C1=NN=C(O1)C(C)(C)C,DRUG_7625
7626,7626,7626,7626,7626,7626,7626,7626,DB13841,Clopenthixol,DrugBank,drug,[H]C(CCN1CCN(CCO)CC1)=C1C2=C(SC3=C1C=C(Cl)C=C3)C=CC=C2,DRUG_7626
7627,7627,7627,7627,7627,7627,7627,7627,DB17706,"2,2-Dimethylbutyrate",DrugBank,drug,CCC(C)(C)C(O)=O,DRUG_7627
7628,7628,7628,7628,7628,7628,7628,7628,DB16492,SAR443122,DrugBank,drug,CN1C2=NC=CC=C2OC[C@H](NC(=O)C2=NN=C(CC3=CC=CC=C3)N2)C1=O,DRUG_7628
7629,7629,7629,7629,7629,7629,7629,7629,DB08172,(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide,DrugBank,drug,COC1=CC=CC=C1C1=CC(Cl)=C(NC(=O)C(\C#N)=C(\C)O)C=C1,DRUG_7629
7630,7630,7630,7630,7630,7630,7630,7630,DB00143,Glutathione,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,DRUG_7630
7631,7631,7631,7631,7631,7631,7631,7631,DB00322,Floxuridine,DrugBank,drug,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O,DRUG_7631
7632,7632,7632,7632,7632,7632,7632,7632,DB12971,Pactimibe,DrugBank,drug,CCCCCCCCN1CCC2=C1C(NC(=O)C(C)(C)C)=C(C)C(CC(O)=O)=C2C,DRUG_7632
7633,7633,7633,7633,7633,7633,7633,7633,DB09239,Niguldipine,DrugBank,drug,[H]N1C(C)=C([C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,DRUG_7633
7634,7634,7634,7634,7634,7634,7634,7634,DB02598,"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine",DrugBank,drug,CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O,DRUG_7634
7635,7635,7635,7635,7635,7635,7635,7635,DB07235,"N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE",DrugBank,drug,[H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1,DRUG_7635
7636,7636,7636,7636,7636,7636,7636,7636,DB09034,Suvorexant,DrugBank,drug,[H][C@@]1(C)CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2,DRUG_7636
7637,7637,7637,7637,7637,7637,7637,7637,DB08500,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",DrugBank,drug,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC2=CC=CC=C2C=C1,DRUG_7637
7638,7638,7638,7638,7638,7638,7638,7638,DB09331,Daratumumab,DrugBank,drug,,DRUG_7638
7639,7639,7639,7639,7639,7639,7639,7639,DB16938,D-157495,DrugBank,drug,NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C=CC=C3Cl)CC1)=CC=C2,DRUG_7639
7640,7640,7640,7640,7640,7640,7640,7640,DB06457,Tecastemizole,DrugBank,drug,FC1=CC=C(CN2C(NC3CCNCC3)=NC3=CC=CC=C23)C=C1,DRUG_7640
7641,7641,7641,7641,7641,7641,7641,7641,DB17493,Bioymifi,DrugBank,drug,[H]N=C1S\C(=C(\[H])C2=CC=C(O2)C2=CC3=C(C=C2)C(O)=NC3=O)C(=O)N1C1=CC=C(Br)C=C1,DRUG_7641
7642,7642,7642,7642,7642,7642,7642,7642,DB13715,Dilazep,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)C(=O)OCCCN1CCCN(CCCOC(=O)C2=CC(OC)=C(OC)C(OC)=C2)CC1,DRUG_7642
7643,7643,7643,7643,7643,7643,7643,7643,DB00201,Caffeine,DrugBank,drug,CN1C=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_7643
7644,7644,7644,7644,7644,7644,7644,7644,DB02179,O-Trifluoromethylphenyl Anthranilic Acid,DrugBank,drug,OC(=O)C1=CC=CC=C1NC1=C(C=CC=C1)C(F)(F)F,DRUG_7644
7645,7645,7645,7645,7645,7645,7645,7645,DB16862,Indigo,DrugBank,drug,O=C1\C(NC2=C1C=CC=C2)=C1/NC2=C(C=CC=C2)C1=O,DRUG_7645
7646,7646,7646,7646,7646,7646,7646,7646,DB04027,D-arginine,DrugBank,drug,N[C@H](CCCNC(N)=N)C(O)=O,DRUG_7646
7647,7647,7647,7647,7647,7647,7647,7647,DB00563,Methotrexate,DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(O)=O,DRUG_7647
7648,7648,7648,7648,7648,7648,7648,7648,DB07779,N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE,DrugBank,drug,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC=C1)CC1=C(F)C=CC=C1,DRUG_7648
7649,7649,7649,7649,7649,7649,7649,7649,DB01662,Trans-O-Hydroxy-Alpha-Methyl Cinnamate,DrugBank,drug,[H][C@@](C)(CC1=CC=CC=C1O)C(O)=O,DRUG_7649
7650,7650,7650,7650,7650,7650,7650,7650,DB05688,CRx-119,DrugBank,drug,,DRUG_7650
7651,7651,7651,7651,7651,7651,7651,7651,DB00643,Mebendazole,DrugBank,drug,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1,DRUG_7651
7652,7652,7652,7652,7652,7652,7652,7652,DB14445,Influenza A virus A/Victoria/210/2009 X-187 (H3N2) antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_7652
7653,7653,7653,7653,7653,7653,7653,7653,DB06197,Bimosiamose,DrugBank,drug,[H][C@]1(CO)O[C@]([H])(OC2=C(C=C(CCCCCCC3=CC(=C(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)C=C3)C3=CC=CC(CC(O)=O)=C3)C=C2)C2=CC=CC(CC(O)=O)=C2)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,DRUG_7653
7654,7654,7654,7654,7654,7654,7654,7654,DB06231,Caldaret,DrugBank,drug,CC1=CC=C(N2CCNCC2)C(=C1)S(O)(=O)=O,DRUG_7654
7655,7655,7655,7655,7655,7655,7655,7655,DB12432,CC-401,DrugBank,drug,C(CN1CCCCC1)OC1=CC=CC(=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1,DRUG_7655
7656,7656,7656,7656,7656,7656,7656,7656,DB01717,Bis(Adenosine)-5'-Pentaphosphate,DrugBank,drug,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_7656
7657,7657,7657,7657,7657,7657,7657,7657,DB00630,Alendronic acid,DrugBank,drug,NCCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_7657
7658,7658,7658,7658,7658,7658,7658,7658,DB12350,Rostafuroxin,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)C1=COC=C1,DRUG_7658
7659,7659,7659,7659,7659,7659,7659,7659,DB00349,Clobazam,DrugBank,drug,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O,DRUG_7659
7660,7660,7660,7660,7660,7660,7660,7660,DB09122,Peginterferon beta-1a,DrugBank,drug,,DRUG_7660
7661,7661,7661,7661,7661,7661,7661,7661,DB01351,Amobarbital,DrugBank,drug,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,DRUG_7661
7662,7662,7662,7662,7662,7662,7662,7662,DB17101,SC 41930,DrugBank,drug,CCCC1=C(OC)C(=CC=C1OCCCOC1=CC=C2CCC(OC2=C1CCC)C(O)=O)C(C)=O,DRUG_7662
7663,7663,7663,7663,7663,7663,7663,7663,DB07544,N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE,DrugBank,drug,FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1,DRUG_7663
7664,7664,7664,7664,7664,7664,7664,7664,DB11358,Evening primrose oil,DrugBank,drug,,DRUG_7664
7665,7665,7665,7665,7665,7665,7665,7665,DB13262,Aceclidine,DrugBank,drug,CC(=O)OC1CN2CCC1CC2,DRUG_7665
7666,7666,7666,7666,7666,7666,7666,7666,DB07503,"(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE",DrugBank,drug,FC1(F)OC2=C(O1)C=C(\C=C1/SC(=O)NC1=O)C=C2,DRUG_7666
7667,7667,7667,7667,7667,7667,7667,7667,DB03899,9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine,DrugBank,drug,CCCCN1C(CC2=CC=C(OC)C=C2)=NC2=C(N)N=CN=C12,DRUG_7667
7668,7668,7668,7668,7668,7668,7668,7668,DB11735,Galactose,DrugBank,drug,[H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,DRUG_7668
7669,7669,7669,7669,7669,7669,7669,7669,DB01076,Atorvastatin,DrugBank,drug,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,DRUG_7669
7670,7670,7670,7670,7670,7670,7670,7670,DB06599,Lexatumumab,DrugBank,drug,,DRUG_7670
7671,7671,7671,7671,7671,7671,7671,7671,DB12953,Disitertide,DrugBank,drug,,DRUG_7671
7672,7672,7672,7672,7672,7672,7672,7672,DB12899,TT-301,DrugBank,drug,C1CN(CCN1C1=NC=CC=N1)C1=C(C=C(N=N1)C1=CC=CC=C1)C1=CC=NC=C1,DRUG_7672
7673,7673,7673,7673,7673,7673,7673,7673,DB08553,"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime",DrugBank,drug,O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1,DRUG_7673
7674,7674,7674,7674,7674,7674,7674,7674,DB05495,PG-530742,DrugBank,drug,COC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O,DRUG_7674
7675,7675,7675,7675,7675,7675,7675,7675,DB11367,Cefroxadine,DrugBank,drug,[H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,DRUG_7675
7676,7676,7676,7676,7676,7676,7676,7676,DB12064,BMS-777607,DrugBank,drug,CCOC1=C(C(=O)NC2=CC=C(OC3=C(Cl)C(N)=NC=C3)C(F)=C2)C(=O)N(C=C1)C1=CC=C(F)C=C1,DRUG_7676
7677,7677,7677,7677,7677,7677,7677,7677,DB16239,Molibresib,DrugBank,drug,CCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=CC(OC)=CC=C2N2C(C)=NN=C12,DRUG_7677
7678,7678,7678,7678,7678,7678,7678,7678,DB11061,Povidone,DrugBank,drug,,DRUG_7678
7679,7679,7679,7679,7679,7679,7679,7679,DB02845,Methylphosphinic Acid,DrugBank,drug,CP(O)=O,DRUG_7679
7680,7680,7680,7680,7680,7680,7680,7680,DB06376,CHGN111,DrugBank,drug,,DRUG_7680
7681,7681,7681,7681,7681,7681,7681,7681,DB12986,VS-5584,DrugBank,drug,CC(C)N1C(C)=NC2=C(N=C(N=C12)N1CCOCC1)C1=CN=C(N)N=C1,DRUG_7681
7682,7682,7682,7682,7682,7682,7682,7682,DB08114,"5-benzyl-1,3-thiazol-2-amine",DrugBank,drug,NC1=NC=C(CC2=CC=CC=C2)S1,DRUG_7682
7683,7683,7683,7683,7683,7683,7683,7683,DB16321,S-777469,DrugBank,drug,CCC1=C(C)C=C(C(=O)NC2(CCCCC2)C(O)=O)C(=O)N1CC1=CC=C(F)C=C1,DRUG_7683
7684,7684,7684,7684,7684,7684,7684,7684,DB06193,Pixantrone,DrugBank,drug,NCCNC1=CC=C(NCCN)C2=C1C(=O)C1=C(C=NC=C1)C2=O,DRUG_7684
7685,7685,7685,7685,7685,7685,7685,7685,DB00327,Hydromorphone,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,DRUG_7685
7686,7686,7686,7686,7686,7686,7686,7686,DB08861,DPDPE,DrugBank,drug,CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1C(O)=O,DRUG_7686
7687,7687,7687,7687,7687,7687,7687,7687,DB16137,Dezapelisib,DrugBank,drug,C[C@H](NC1=C2N=CNC2=NC=N1)C1=C(C(=O)N2C(C)=CSC2=N1)C1=CC=CC(F)=C1,DRUG_7687
7688,7688,7688,7688,7688,7688,7688,7688,DB09389,Norgestrel,DrugBank,drug,CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,DRUG_7688
7689,7689,7689,7689,7689,7689,7689,7689,DB12948,Didox,DrugBank,drug,ONC(=O)C1=CC(O)=C(O)C=C1,DRUG_7689
7690,7690,7690,7690,7690,7690,7690,7690,DB04522,Dexfosfoserine,DrugBank,drug,N[C@@H](COP(O)(O)=O)C(O)=O,DRUG_7690
7691,7691,7691,7691,7691,7691,7691,7691,DB08305,"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",DrugBank,drug,[H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,DRUG_7691
7692,7692,7692,7692,7692,7692,7692,7692,DB04136,Lysophosphotidylserine,DrugBank,drug,[H][C@@](O)(CO[C@@]([H])(O)CCCCCCCCCCCCCC)COP(O)(=O)OC[C@]([H])(N)C(O)=O,DRUG_7692
7693,7693,7693,7693,7693,7693,7693,7693,DB08084,IDD594,DrugBank,drug,OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F,DRUG_7693
7694,7694,7694,7694,7694,7694,7694,7694,DB02761,S-Mercaptocysteine,DrugBank,drug,N[C@@H](CSS)C(O)=O,DRUG_7694
7695,7695,7695,7695,7695,7695,7695,7695,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",DrugBank,drug,[H][C@@]1(CCCCN1)C(F)(F)CNC1=NC=CC2=C1N=C(CC1=CC=CC=C1N1C=NC=N1)O2,DRUG_7695
7696,7696,7696,7696,7696,7696,7696,7696,DB01147,Cloxacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O,DRUG_7696
7697,7697,7697,7697,7697,7697,7697,7697,DB06787,Hexocyclium,DrugBank,drug,C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1,DRUG_7697
7698,7698,7698,7698,7698,7698,7698,7698,DB09060,Avibactam,DrugBank,drug,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O,DRUG_7698
7699,7699,7699,7699,7699,7699,7699,7699,DB02269,[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium,DrugBank,drug,C[N+](C)(C)C1=CC=C(CNC(=O)C2=CC3=C(C=CC(OCC4=CC=CC=C4)=C3)N2CC2=CC=CC(=C2)C(N)=N)C=C1,DRUG_7699
7700,7700,7700,7700,7700,7700,7700,7700,DB03430,(S)-4-hydroxymandelonitrile,DrugBank,drug,O[C@H](C#N)C1=CC=C(O)C=C1,DRUG_7700
7701,7701,7701,7701,7701,7701,7701,7701,DB00413,Pramipexole,DrugBank,drug,CCCN[C@H]1CCC2=C(C1)SC(N)=N2,DRUG_7701
7702,7702,7702,7702,7702,7702,7702,7702,DB07702,17alpha-Estriol,DrugBank,drug,[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@]1([H])O,DRUG_7702
7703,7703,7703,7703,7703,7703,7703,7703,DB14761,Remdesivir,DrugBank,drug,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)C1=CC=C2N1N=CN=C2N)OC1=CC=CC=C1,DRUG_7703
7704,7704,7704,7704,7704,7704,7704,7704,DB00521,Carteolol,DrugBank,drug,CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2,DRUG_7704
7705,7705,7705,7705,7705,7705,7705,7705,DB06822,Tinzaparin,DrugBank,drug,,DRUG_7705
7706,7706,7706,7706,7706,7706,7706,7706,DB02861,"4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=C(F)C(F)=C1,DRUG_7706
7707,7707,7707,7707,7707,7707,7707,7707,DB08889,Carfilzomib,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,DRUG_7707
7708,7708,7708,7708,7708,7708,7708,7708,DB14039,Erenumab,DrugBank,drug,,DRUG_7708
7709,7709,7709,7709,7709,7709,7709,7709,DB07383,"N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE",DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(O)(O)C(F)(F)F,DRUG_7709
7710,7710,7710,7710,7710,7710,7710,7710,DB06602,Reslizumab,DrugBank,drug,,DRUG_7710
7711,7711,7711,7711,7711,7711,7711,7711,DB12284,LY-2608204,DrugBank,drug,O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1,DRUG_7711
7712,7712,7712,7712,7712,7712,7712,7712,DB12375,Oglemilast,DrugBank,drug,CS(=O)(=O)NC1=CC2=C(OC3=C2C(=CC=C3OC(F)F)C(=O)NC2=C(Cl)C=NC=C2Cl)C=C1,DRUG_7712
7713,7713,7713,7713,7713,7713,7713,7713,DB07545,N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE,DrugBank,drug,FC(F)(F)C1=CC=CC(NC2=NC(NC3=CC(NC(=O)C4CC4)=CC=C3)=NC=C2)=C1,DRUG_7713
7714,7714,7714,7714,7714,7714,7714,7714,DB15477,Alloin,DrugBank,drug,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1C2=CC=CC(O)=C2C(=O)C2=C1C=C(CO)C=C2O,DRUG_7714
7715,7715,7715,7715,7715,7715,7715,7715,DB09041,Tavaborole,DrugBank,drug,OB1OCC2=CC(F)=CC=C12,DRUG_7715
7716,7716,7716,7716,7716,7716,7716,7716,DB05159,CCX915,DrugBank,drug,,DRUG_7716
7717,7717,7717,7717,7717,7717,7717,7717,DB08490,CTS-1027,DrugBank,drug,ONC(=O)C1(CS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1,DRUG_7717
7718,7718,7718,7718,7718,7718,7718,7718,DB14857,Avadomide,DrugBank,drug,CC1=NC2=C(C(N)=CC=C2)C(=O)N1C1CCC(=O)NC1=O,DRUG_7718
7719,7719,7719,7719,7719,7719,7719,7719,DB00790,Perindopril,DrugBank,drug,[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,DRUG_7719
7720,7720,7720,7720,7720,7720,7720,7720,DB07693,"N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide",DrugBank,drug,CC1=CC=CC(C)=C1C(=O)NC1=CC(Br)=C(O)C(Br)=C1,DRUG_7720
7721,7721,7721,7721,7721,7721,7721,7721,DB16299,Poseltinib,DrugBank,drug,CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3OC=CC3=N2)C=C1,DRUG_7721
7722,7722,7722,7722,7722,7722,7722,7722,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",DrugBank,drug,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,DRUG_7722
7723,7723,7723,7723,7723,7723,7723,7723,DB01352,Aprobarbital,DrugBank,drug,CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,DRUG_7723
7724,7724,7724,7724,7724,7724,7724,7724,DB04495,Paratoulene phosphate,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,DRUG_7724
7725,7725,7725,7725,7725,7725,7725,7725,DB01347,Saprisartan,DrugBank,drug,CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O,DRUG_7725
7726,7726,7726,7726,7726,7726,7726,7726,DB03994,Ethanolamine,DrugBank,drug,NCCO,DRUG_7726
7727,7727,7727,7727,7727,7727,7727,7727,DB15207,Esaxerenone,DrugBank,drug,CC1=C(N(CCO)C=C1C(=O)NC1=CC=C(C=C1)S(C)(=O)=O)C1=C(C=CC=C1)C(F)(F)F,DRUG_7727
7728,7728,7728,7728,7728,7728,7728,7728,DB08455,Ro 12-7310,DrugBank,drug,[H]/C(=C(/[H])\C(\C)=C(/[H])C(O)=O)/C(/[H])=C(\C)/C(/[H])=C(\[H])C1=C(C)C=C(O)C(C)=C1C,DRUG_7728
7729,7729,7729,7729,7729,7729,7729,7729,DB00671,Cefixime,DrugBank,drug,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O,DRUG_7729
7730,7730,7730,7730,7730,7730,7730,7730,DB08462,N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE,DrugBank,drug,C=CC(=O)NC1=CC=C2N=CN=C(NC3=CC=CC=C3)C2=C1,DRUG_7730
7731,7731,7731,7731,7731,7731,7731,7731,DB05793,PRO-542,DrugBank,drug,,DRUG_7731
7732,7732,7732,7732,7732,7732,7732,7732,DB11135,Selenium,DrugBank,drug,[Se],DRUG_7732
7733,7733,7733,7733,7733,7733,7733,7733,DB11946,AZD-1981,DrugBank,drug,CC(=O)NC1=C2C(=CC=C1)N(CC(O)=O)C(C)=C2SC1=CC=C(Cl)C=C1,DRUG_7733
7734,7734,7734,7734,7734,7734,7734,7734,DB01618,Molindone,DrugBank,drug,CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2,DRUG_7734
7735,7735,7735,7735,7735,7735,7735,7735,DB04797,Triazolopyridine,DrugBank,drug,CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC=C(F)C=C1,DRUG_7735
7736,7736,7736,7736,7736,7736,7736,7736,DB12703,Omipalisib,DrugBank,drug,COC1=C(NS(=O)(=O)C2=C(F)C=C(F)C=C2)C=C(C=N1)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1,DRUG_7736
7737,7737,7737,7737,7737,7737,7737,7737,DB10964,Lolium perenne subsp. multiflorum pollen,DrugBank,drug,,DRUG_7737
7738,7738,7738,7738,7738,7738,7738,7738,DB12754,Iodide,DrugBank,drug,[I-],DRUG_7738
7739,7739,7739,7739,7739,7739,7739,7739,DB07453,alpha-Naphthoflavone,DrugBank,drug,O=C1C=C(OC2=C1C=CC1=C2C=CC=C1)C1=CC=CC=C1,DRUG_7739
7740,7740,7740,7740,7740,7740,7740,7740,DB01245,Decamethonium,DrugBank,drug,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,DRUG_7740
7741,7741,7741,7741,7741,7741,7741,7741,DB03509,2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide,DrugBank,drug,NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1,DRUG_7741
7742,7742,7742,7742,7742,7742,7742,7742,DB00425,Zolpidem,DrugBank,drug,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1,DRUG_7742
7743,7743,7743,7743,7743,7743,7743,7743,DB13863,Fosfructose,DrugBank,drug,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(=O)COP(O)(O)=O,DRUG_7743
7744,7744,7744,7744,7744,7744,7744,7744,DB08240,N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE,DrugBank,drug,OP(O)(=O)OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1,DRUG_7744
7745,7745,7745,7745,7745,7745,7745,7745,DB03288,5-Chloro-1h-Indole-2-Carboxylic Acid{[Cyclopentyl-(2-Hydroxy-Ethyl)-Carbamoyl]-Methyl}-Amide,DrugBank,drug,[H][C@@](O)(CNC(=O)C1=CC2=CC(Cl)=CC=C2N1)N(CCO)C1CCCC1,DRUG_7745
7746,7746,7746,7746,7746,7746,7746,7746,DB01243,Chloroxine,DrugBank,drug,OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2,DRUG_7746
7747,7747,7747,7747,7747,7747,7747,7747,DB05964,Amitifadine,DrugBank,drug,[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1,DRUG_7747
7748,7748,7748,7748,7748,7748,7748,7748,DB08403,METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID,DrugBank,drug,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC,DRUG_7748
7749,7749,7749,7749,7749,7749,7749,7749,DB00435,Nitric Oxide,DrugBank,drug,[N]=O,DRUG_7749
7750,7750,7750,7750,7750,7750,7750,7750,DB14860,Ensartinib,DrugBank,drug,C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1C[C@H](C)N[C@H](C)C1)C1=C(Cl)C=CC(F)=C1Cl,DRUG_7750
7751,7751,7751,7751,7751,7751,7751,7751,DB01031,Ethinamate,DrugBank,drug,NC(=O)OC1(CCCCC1)C#C,DRUG_7751
7752,7752,7752,7752,7752,7752,7752,7752,DB13666,Tiemonium iodide,DrugBank,drug,[I-].C[N+]1(CCC(O)(C2=CC=CS2)C2=CC=CC=C2)CCOCC1,DRUG_7752
7753,7753,7753,7753,7753,7753,7753,7753,DB01748,N-Benzyl-4-Sulfamoyl-Benzamide,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1,DRUG_7753
7754,7754,7754,7754,7754,7754,7754,7754,DB02404,1-Deoxy-1-Thio-Heptaethylene Glycol,DrugBank,drug,OCCOCCOCCOCCOCCOCCOCCS,DRUG_7754
7755,7755,7755,7755,7755,7755,7755,7755,DB08729,"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide",DrugBank,drug,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O,DRUG_7755
7756,7756,7756,7756,7756,7756,7756,7756,DB00564,Carbamazepine,DrugBank,drug,NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12,DRUG_7756
7757,7757,7757,7757,7757,7757,7757,7757,DB12156,Cordycepin,DrugBank,drug,[H][C@@]1(CO)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12,DRUG_7757
7758,7758,7758,7758,7758,7758,7758,7758,DB00618,Demeclocycline,DrugBank,drug,[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O,DRUG_7758
7759,7759,7759,7759,7759,7759,7759,7759,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",DrugBank,drug,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,DRUG_7759
7760,7760,7760,7760,7760,7760,7760,7760,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)",DrugBank,drug,OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1,DRUG_7760
7761,7761,7761,7761,7761,7761,7761,7761,DB08159,"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE",DrugBank,drug,OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O,DRUG_7761
7762,7762,7762,7762,7762,7762,7762,7762,DB06212,Tolvaptan,DrugBank,drug,CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2,DRUG_7762
7763,7763,7763,7763,7763,7763,7763,7763,DB13499,Cefsulodin,DrugBank,drug,NC(=O)C1=CC=[N+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](C2=CC=CC=C2)S(O)(=O)=O)C3=O)C([O-])=O)C=C1,DRUG_7763
7764,7764,7764,7764,7764,7764,7764,7764,DB11717,Epacadostat,DrugBank,drug,NS(=O)(=O)NCCNC1=NON=C1\C(NC1=CC=C(F)C(Br)=C1)=N\O,DRUG_7764
7765,7765,7765,7765,7765,7765,7765,7765,DB09027,Ledipasvir,DrugBank,drug,COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C1=NC(=CN1)C1=CC=C2C3=CC=C(C=C3C(F)(F)C2=C1)C1=CC=C2NC(=NC2=C1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C,DRUG_7765
7766,7766,7766,7766,7766,7766,7766,7766,DB13279,Carbocromen,DrugBank,drug,CCOC(=O)COC1=CC2=C(C=C1)C(C)=C(CCN(CC)CC)C(=O)O2,DRUG_7766
7767,7767,7767,7767,7767,7767,7767,7767,DB02452,Thymidine 5'-triphosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,DRUG_7767
7768,7768,7768,7768,7768,7768,7768,7768,DB12431,Muplestim,DrugBank,drug,,DRUG_7768
7769,7769,7769,7769,7769,7769,7769,7769,DB11729,Linerixibat,DrugBank,drug,CCCC[C@]1(CC)CS(=O)(=O)C2=CC(CNC(CC(O)=O)CC(O)=O)=C(OC)C=C2[C@H](N1)C1=CC=CC=C1,DRUG_7769
7770,7770,7770,7770,7770,7770,7770,7770,DB04281,"2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone",DrugBank,drug,[H]C1(CCC(CC1)=C1C(O)=C(O)C2=CC=CC=C2C1=O)C1=CC=C(Cl)C=C1,DRUG_7770
7771,7771,7771,7771,7771,7771,7771,7771,DB08218,"HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM",DrugBank,drug,O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1,DRUG_7771
7772,7772,7772,7772,7772,7772,7772,7772,DB04472,(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol,DrugBank,drug,[H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O,DRUG_7772
7773,7773,7773,7773,7773,7773,7773,7773,DB04933,Eritoran,DrugBank,drug,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC,DRUG_7773
7774,7774,7774,7774,7774,7774,7774,7774,DB06837,"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide",DrugBank,drug,[H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2,DRUG_7774
7775,7775,7775,7775,7775,7775,7775,7775,DB13806,Linopirdine,DrugBank,drug,O=C1N(C2=CC=CC=C2C1(CC1=CC=NC=C1)CC1=CC=NC=C1)C1=CC=CC=C1,DRUG_7775
7776,7776,7776,7776,7776,7776,7776,7776,DB02518,N-Acetylalanine,DrugBank,drug,C[C@H](NC(C)=O)C(O)=O,DRUG_7776
7777,7777,7777,7777,7777,7777,7777,7777,DB01135,Doxacurium,DrugBank,drug,COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,DRUG_7777
7778,7778,7778,7778,7778,7778,7778,7778,DB14636,Triciribine phosphate,DrugBank,drug,CN1N=C(N)C2=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C3=C2C1=NC=N3,DRUG_7778
7779,7779,7779,7779,7779,7779,7779,7779,DB13251,Octopamine,DrugBank,drug,NCC(O)C1=CC=C(O)C=C1,DRUG_7779
7780,7780,7780,7780,7780,7780,7780,7780,DB07963,"N-[(2',4'-DIFLUORO-4-HYDROXY-5-IODOBIPHENYL-3-YL)CARBONYL]-BETA-ALANINE",DrugBank,drug,OC(=O)CCNC(=O)C1=C(O)C(I)=CC(=C1)C1=C(F)C=C(F)C=C1,DRUG_7780
7781,7781,7781,7781,7781,7781,7781,7781,DB05713,LY-517717,DrugBank,drug,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=CC=CC=C1,DRUG_7781
7782,7782,7782,7782,7782,7782,7782,7782,DB04930,Permethrin,DrugBank,drug,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,DRUG_7782
7783,7783,7783,7783,7783,7783,7783,7783,DB04738,Motuporin,DrugBank,drug,[H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O,DRUG_7783
7784,7784,7784,7784,7784,7784,7784,7784,DB12343,Temocillin,DrugBank,drug,CO[C@]1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O,DRUG_7784
7785,7785,7785,7785,7785,7785,7785,7785,DB14999,Human interferon beta,DrugBank,drug,,DRUG_7785
7786,7786,7786,7786,7786,7786,7786,7786,DB05038,Anatibant,DrugBank,drug,CC1=CC(C)=C2C=CC=C(OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(N)=N)C2=N1,DRUG_7786
7787,7787,7787,7787,7787,7787,7787,7787,DB03173,CRA_10433,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],DRUG_7787
7788,7788,7788,7788,7788,7788,7788,7788,DB13396,Neocitrullamon,DrugBank,drug,NC(CCCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O,DRUG_7788
7789,7789,7789,7789,7789,7789,7789,7789,DB05630,Sodium stibogluconate,DrugBank,drug,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO,DRUG_7789
7790,7790,7790,7790,7790,7790,7790,7790,DB19083,Mescaline,DrugBank,drug,COC1=CC(CCN)=CC(OC)=C1OC,DRUG_7790
7791,7791,7791,7791,7791,7791,7791,7791,DB00367,Levonorgestrel,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],DRUG_7791
7792,7792,7792,7792,7792,7792,7792,7792,DB01638,Sorbitol,DrugBank,drug,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_7792
7793,7793,7793,7793,7793,7793,7793,7793,DB03017,Lauric acid,DrugBank,drug,CCCCCCCCCCCC(O)=O,DRUG_7793
7794,7794,7794,7794,7794,7794,7794,7794,DB12004,Briciclib,DrugBank,drug,COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(OP(O)(O)=O)=C2)C(OC)=C1,DRUG_7794
7795,7795,7795,7795,7795,7795,7795,7795,DB15101,Tigatuzumab,DrugBank,drug,,DRUG_7795
7796,7796,7796,7796,7796,7796,7796,7796,DB00899,Remifentanil,DrugBank,drug,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC,DRUG_7796
7797,7797,7797,7797,7797,7797,7797,7797,DB12401,Bromperidol,DrugBank,drug,OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Br)C=C1,DRUG_7797
7798,7798,7798,7798,7798,7798,7798,7798,DB07705,(S)-econazole,DrugBank,drug,ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_7798
7799,7799,7799,7799,7799,7799,7799,7799,DB11458,Roxarsone,DrugBank,drug,OC1=C(C=C(C=C1)[As](O)(O)=O)N(=O)=O,DRUG_7799
7800,7800,7800,7800,7800,7800,7800,7800,DB02569,"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate",DrugBank,drug,CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,DRUG_7800
7801,7801,7801,7801,7801,7801,7801,7801,DB00261,Anagrelide,DrugBank,drug,ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl,DRUG_7801
7802,7802,7802,7802,7802,7802,7802,7802,DB03310,Glutathione disulfide,DrugBank,drug,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,DRUG_7802
7803,7803,7803,7803,7803,7803,7803,7803,DB03233,3'-deoxy-3'-aminothymidine monophosphate,DrugBank,drug,[H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O,DRUG_7803
7804,7804,7804,7804,7804,7804,7804,7804,DB01369,Quinupristin,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@]([H])(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](CC1=CC=C(C=C1)N(C)C)N(C)C2=O)C1=CC=CC=C1,DRUG_7804
7805,7805,7805,7805,7805,7805,7805,7805,DB05685,FX06,DrugBank,drug,,DRUG_7805
7806,7806,7806,7806,7806,7806,7806,7806,DB01672,"2,3-Dihydroxy-Benzoic Acid",DrugBank,drug,OC(=O)C1=C(O)C(O)=CC=C1,DRUG_7806
7807,7807,7807,7807,7807,7807,7807,7807,DB12670,Rolofylline,DrugBank,drug,CCCN1C2=C(NC(=N2)C23C[C@@H]4CC2C[C@H](C3)C4)C(=O)N(CCC)C1=O,DRUG_7807
7808,7808,7808,7808,7808,7808,7808,7808,DB06732,beta-Naphthoflavone,DrugBank,drug,O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1,DRUG_7808
7809,7809,7809,7809,7809,7809,7809,7809,DB01445,Bufotenine,DrugBank,drug,CN(C)CCC1=CNC2=C1C=C(O)C=C2,DRUG_7809
7810,7810,7810,7810,7810,7810,7810,7810,DB06800,Methylnaltrexone,DrugBank,drug,C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35,DRUG_7810
7811,7811,7811,7811,7811,7811,7811,7811,DB03206,Duvoglustat,DrugBank,drug,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,DRUG_7811
7812,7812,7812,7812,7812,7812,7812,7812,DB00013,Urokinase,DrugBank,drug,,DRUG_7812
7813,7813,7813,7813,7813,7813,7813,7813,DB00833,Cefaclor,DrugBank,drug,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,DRUG_7813
7814,7814,7814,7814,7814,7814,7814,7814,DB05465,Tandutinib,DrugBank,drug,COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1,DRUG_7814
7815,7815,7815,7815,7815,7815,7815,7815,DB07299,4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE,DrugBank,drug,[H][C@@](CCCNC(N)N)(NC(=O)[C@@]([H])(NC(=O)CCC(C)C)C(C)C)C(=O)C1=NC=CS1,DRUG_7815
7816,7816,7816,7816,7816,7816,7816,7816,DB12530,Inebilizumab,DrugBank,drug,,DRUG_7816
7817,7817,7817,7817,7817,7817,7817,7817,DB01423,Stepronin,DrugBank,drug,CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O,DRUG_7817
7818,7818,7818,7818,7818,7818,7818,7818,DB05472,Human interferon omega-1,DrugBank,drug,,DRUG_7818
7819,7819,7819,7819,7819,7819,7819,7819,DB00830,Phenmetrazine,DrugBank,drug,CC1NCCOC1C1=CC=CC=C1,DRUG_7819
7820,7820,7820,7820,7820,7820,7820,7820,DB03976,Phosphorylisopropane,DrugBank,drug,CC(C)OP(O)(O)=O,DRUG_7820
7821,7821,7821,7821,7821,7821,7821,7821,DB04915,Idronoxil,DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2,DRUG_7821
7822,7822,7822,7822,7822,7822,7822,7822,DB00140,Riboflavin,DrugBank,drug,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,DRUG_7822
7823,7823,7823,7823,7823,7823,7823,7823,DB15095,Leridistim,DrugBank,drug,,DRUG_7823
7824,7824,7824,7824,7824,7824,7824,7824,DB04066,p-Coumaric acid,DrugBank,drug,OC(=O)\C=C\C1=CC=C(O)C=C1,DRUG_7824
7825,7825,7825,7825,7825,7825,7825,7825,DB02859,Soraphen A,DrugBank,drug,[H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC,DRUG_7825
7826,7826,7826,7826,7826,7826,7826,7826,DB00888,Mechlorethamine,DrugBank,drug,CN(CCCl)CCCl,DRUG_7826
7827,7827,7827,7827,7827,7827,7827,7827,DB01068,Clonazepam,DrugBank,drug,[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,DRUG_7827
7828,7828,7828,7828,7828,7828,7828,7828,DB13191,Phosphocreatine,DrugBank,drug,CN(CC(O)=O)C(=N)NP(O)(O)=O,DRUG_7828
7829,7829,7829,7829,7829,7829,7829,7829,DB01864,5'-Guanosine-Diphosphate-Monothiophosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_7829
7830,7830,7830,7830,7830,7830,7830,7830,DB12668,Metenkefalin,DrugBank,drug,CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,DRUG_7830
7831,7831,7831,7831,7831,7831,7831,7831,DB03078,PASBN,DrugBank,drug,O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1,DRUG_7831
7832,7832,7832,7832,7832,7832,7832,7832,DB07847,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE,DrugBank,drug,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1,DRUG_7832
7833,7833,7833,7833,7833,7833,7833,7833,DB04825,Prenylamine,DrugBank,drug,CC(CC1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7833
7834,7834,7834,7834,7834,7834,7834,7834,DB00048,Collagenase clostridium histolyticum,DrugBank,drug,,DRUG_7834
7835,7835,7835,7835,7835,7835,7835,7835,DB12306,Cipargamin,DrugBank,drug,C[C@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@@]2(N1)C(=O)NC1=CC=C(Cl)C=C21,DRUG_7835
7836,7836,7836,7836,7836,7836,7836,7836,DB09026,Aliskiren,DrugBank,drug,COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1,DRUG_7836
7837,7837,7837,7837,7837,7837,7837,7837,DB00238,Nevirapine,DrugBank,drug,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1,DRUG_7837
7838,7838,7838,7838,7838,7838,7838,7838,DB17112,SM-337,DrugBank,drug,,DRUG_7838
7839,7839,7839,7839,7839,7839,7839,7839,DB00186,Lorazepam,DrugBank,drug,OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2,DRUG_7839
7840,7840,7840,7840,7840,7840,7840,7840,DB09355,Sulfabenzamide,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C1=CC=CC=C1,DRUG_7840
7841,7841,7841,7841,7841,7841,7841,7841,DB12615,Plazomicin,DrugBank,drug,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,DRUG_7841
7842,7842,7842,7842,7842,7842,7842,7842,DB03889,S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione,DrugBank,drug,N[C@@H](CCC(=O)N[C@@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O,DRUG_7842
7843,7843,7843,7843,7843,7843,7843,7843,DB01121,Phenacemide,DrugBank,drug,NC(=O)NC(=O)CC1=CC=CC=C1,DRUG_7843
7844,7844,7844,7844,7844,7844,7844,7844,DB08241,4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE,DrugBank,drug,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,DRUG_7844
7845,7845,7845,7845,7845,7845,7845,7845,DB07221,"(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM",DrugBank,drug,CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O,DRUG_7845
7846,7846,7846,7846,7846,7846,7846,7846,DB14002,D-alpha-Tocopherol acetate,DrugBank,drug,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1,DRUG_7846
7847,7847,7847,7847,7847,7847,7847,7847,DB05428,Motexafin gadolinium,DrugBank,drug,[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO,DRUG_7847
7848,7848,7848,7848,7848,7848,7848,7848,DB04542,Zidovudine diphosphate,DrugBank,drug,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,DRUG_7848
7849,7849,7849,7849,7849,7849,7849,7849,DB02101,"(S,R)-fidarestat",DrugBank,drug,[H]N([H])C(=O)[C@@H]1C[C@@]2(N([H])C(=O)N([H])C2=O)C2=C(O1)C=CC(F)=C2,DRUG_7849
7850,7850,7850,7850,7850,7850,7850,7850,DB12096,PF-05175157,DrugBank,drug,CC(C)N1N=CC2=C1C(=O)CC1(CCN(CC1)C(=O)C1=CC=C3N=C(C)NC3=C1)C2,DRUG_7850
7851,7851,7851,7851,7851,7851,7851,7851,DB00672,Chlorpropamide,DrugBank,drug,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,DRUG_7851
7852,7852,7852,7852,7852,7852,7852,7852,DB16582,Lisocabtagene maraleucel,DrugBank,drug,,DRUG_7852
7853,7853,7853,7853,7853,7853,7853,7853,DB16628,Fosdenopterin,DrugBank,drug,[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(N)=NC3=O)N[C@]1([H])O2,DRUG_7853
7854,7854,7854,7854,7854,7854,7854,7854,DB14799,PF-06821497,DrugBank,drug,CO[C@H](C1COC1)C1=C(Cl)C2=C(CCN(CC3=C(OC)C=C(C)NC3=O)C2=O)C(Cl)=C1,DRUG_7854
7855,7855,7855,7855,7855,7855,7855,7855,DB04925,Desmoteplase,DrugBank,drug,,DRUG_7855
7856,7856,7856,7856,7856,7856,7856,7856,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",DrugBank,drug,CC(C)C[C@@H](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=CC=C(OCC2=CC=C(O2)C(O)=O)C(Cl)=C1Cl,DRUG_7856
7857,7857,7857,7857,7857,7857,7857,7857,DB04895,Pegaptanib,DrugBank,drug,,DRUG_7857
7858,7858,7858,7858,7858,7858,7858,7858,DB04934,Rifalazil,DrugBank,drug,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)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)=C1OC5=CC(=CC(O)=C5N=C1C4=C3C2=O)N1CCN(CC(C)C)CC1,DRUG_7858
7859,7859,7859,7859,7859,7859,7859,7859,DB03026,Phosphoglycolohydroxamic Acid,DrugBank,drug,ONC(=O)COP(O)(O)=O,DRUG_7859
7860,7860,7860,7860,7860,7860,7860,7860,DB13063,Parthenolide,DrugBank,drug,C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1,DRUG_7860
7861,7861,7861,7861,7861,7861,7861,7861,DB09134,Ioversol,DrugBank,drug,OCCN(C(=O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I,DRUG_7861
7862,7862,7862,7862,7862,7862,7862,7862,DB10351,Cynodon dactylon pollen,DrugBank,drug,,DRUG_7862
7863,7863,7863,7863,7863,7863,7863,7863,DB00551,Acetohydroxamic acid,DrugBank,drug,CC(=O)NO,DRUG_7863
7864,7864,7864,7864,7864,7864,7864,7864,DB06729,Sulfaphenazole,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1,DRUG_7864
7865,7865,7865,7865,7865,7865,7865,7865,DB05104,Asimadoline,DrugBank,drug,CN([C@H](CN1CC[C@H](O)C1)C1=CC=CC=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7865
7866,7866,7866,7866,7866,7866,7866,7866,DB15122,PCS-499,DrugBank,drug,[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O,DRUG_7866
7867,7867,7867,7867,7867,7867,7867,7867,DB02721,4-Iodopyrazole,DrugBank,drug,IC1=CNN=C1,DRUG_7867
7868,7868,7868,7868,7868,7868,7868,7868,DB02198,2-Bromoacetyl Group,DrugBank,drug,OC(=O)CBr,DRUG_7868
7869,7869,7869,7869,7869,7869,7869,7869,DB02684,5'-O-(L-Cysteinylsulfamoyl)adenosine,DrugBank,drug,[H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],DRUG_7869
7870,7870,7870,7870,7870,7870,7870,7870,DB11259,Diosmetin,DrugBank,drug,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O1)C=C(O)C=C2O,DRUG_7870
7871,7871,7871,7871,7871,7871,7871,7871,DB13099,Valnoctamide,DrugBank,drug,CCC(C)C(CC)C(N)=O,DRUG_7871
7872,7872,7872,7872,7872,7872,7872,7872,DB08393,"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL",DrugBank,drug,OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_7872
7873,7873,7873,7873,7873,7873,7873,7873,DB05777,Thrombomodulin Alfa,DrugBank,drug,,DRUG_7873
7874,7874,7874,7874,7874,7874,7874,7874,DB06143,Aminoimidazole carboxamide,DrugBank,drug,NC(=O)C1=C(N)N=CN1,DRUG_7874
7875,7875,7875,7875,7875,7875,7875,7875,DB00018,Interferon alfa-n3,DrugBank,drug,,DRUG_7875
7876,7876,7876,7876,7876,7876,7876,7876,DB00271,Diatrizoate,DrugBank,drug,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,DRUG_7876
7877,7877,7877,7877,7877,7877,7877,7877,DB01359,Penbutolol,DrugBank,drug,CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1,DRUG_7877
7878,7878,7878,7878,7878,7878,7878,7878,DB00227,Lovastatin,DrugBank,drug,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,DRUG_7878
7879,7879,7879,7879,7879,7879,7879,7879,DB11863,Alvelestat,DrugBank,drug,CN1N=CC=C1C1=C(C)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=C1)C(=O)NCC1=NC=C(C=C1)S(C)(=O)=O,DRUG_7879
7880,7880,7880,7880,7880,7880,7880,7880,DB12760,GW-493838,DrugBank,drug,CC(C)(C)C1=NN=C(O1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NC3=CC=C(Cl)C=C3F)N=CN=C12,DRUG_7880
7881,7881,7881,7881,7881,7881,7881,7881,DB13824,Enprostil,DrugBank,drug,COC(=O)CCC=C=CC[C@H]1[C@H](\C=C\[C@H](O)COC2=CC=CC=C2)[C@@H](O)CC1=O,DRUG_7881
7882,7882,7882,7882,7882,7882,7882,7882,DB05805,NS-2359,DrugBank,drug,COC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C,DRUG_7882
7883,7883,7883,7883,7883,7883,7883,7883,DB15335,Formononetin,DrugBank,drug,COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O,DRUG_7883
7884,7884,7884,7884,7884,7884,7884,7884,DB00524,Metolazone,DrugBank,drug,CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O,DRUG_7884
7885,7885,7885,7885,7885,7885,7885,7885,DB18038,Buloxibutid,DrugBank,drug,CCCCOC(=O)NS(=O)(=O)C1=C(C=C(CC(C)C)S1)C1=CC=C(CN2C=CN=C2)C=C1,DRUG_7885
7886,7886,7886,7886,7886,7886,7886,7886,DB14488,Ferrous gluconate,DrugBank,drug,[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,DRUG_7886
7887,7887,7887,7887,7887,7887,7887,7887,DB12886,GSK-1521498,DrugBank,drug,FC1=CC(=CC(F)=C1CNC1CC2=CC=CC=C2C1)C1=CC=CC(=C1)C1=NNC=N1,DRUG_7887
7888,7888,7888,7888,7888,7888,7888,7888,DB06727,Sparteine,DrugBank,drug,[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@]12[H],DRUG_7888
7889,7889,7889,7889,7889,7889,7889,7889,DB03256,(6R)-Folinic acid,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1[H],DRUG_7889
7890,7890,7890,7890,7890,7890,7890,7890,DB12962,CP-547632,DrugBank,drug,NC(=O)C1=C(NC(=O)NCCCCN2CCCC2)SN=C1OCC1=C(F)C=C(Br)C=C1F,DRUG_7890
7891,7891,7891,7891,7891,7891,7891,7891,DB05203,SPP1148,DrugBank,drug,,DRUG_7891
7892,7892,7892,7892,7892,7892,7892,7892,DB00245,Benzatropine,DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C,DRUG_7892
7893,7893,7893,7893,7893,7893,7893,7893,DB06703,Gadobutrol,DrugBank,drug,OC[C@H](O)[C@H](CO)[N+]12CC[N+]3(CC([O-])=O)CC[N+]4(CC([O-])=O)CC[N+](CC([O-])=O)(CC1)[Gd-]234,DRUG_7893
7894,7894,7894,7894,7894,7894,7894,7894,DB06266,Lonidamine,DrugBank,drug,OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2,DRUG_7894
7895,7895,7895,7895,7895,7895,7895,7895,DB15303,Faricimab,DrugBank,drug,,DRUG_7895
7896,7896,7896,7896,7896,7896,7896,7896,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",DrugBank,drug,[H][C@@](N)(C(=O)N1CCC(F)(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CN2N=CN=C2C=C1,DRUG_7896
7897,7897,7897,7897,7897,7897,7897,7897,DB07993,"N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE",DrugBank,drug,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CC2=C(C=CN2)C=C1,DRUG_7897
7898,7898,7898,7898,7898,7898,7898,7898,DB06842,(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one,DrugBank,drug,[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1,DRUG_7898
7899,7899,7899,7899,7899,7899,7899,7899,DB08692,D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,DrugBank,drug,[H]N(C(C)=O)[C@]([H])(CC1=CC=C(Cl)C=C1)[B-](O)(O)O,DRUG_7899
7900,7900,7900,7900,7900,7900,7900,7900,DB08449,"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid",DrugBank,drug,OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12,DRUG_7900
7901,7901,7901,7901,7901,7901,7901,7901,DB15093,Somapacitan,DrugBank,drug,,DRUG_7901
7902,7902,7902,7902,7902,7902,7902,7902,DB07691,"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid",DrugBank,drug,OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1,DRUG_7902
7903,7903,7903,7903,7903,7903,7903,7903,DB13606,Phenazocine,DrugBank,drug,C[C@H]1[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2CCC1=CC=CC=C1,DRUG_7903
7904,7904,7904,7904,7904,7904,7904,7904,DB08943,Isoconazole,DrugBank,drug,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=C(Cl)C=CC=C1Cl,DRUG_7904
7905,7905,7905,7905,7905,7905,7905,7905,DB00606,Cyclothiazide,DrugBank,drug,NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2,DRUG_7905
7906,7906,7906,7906,7906,7906,7906,7906,DB12334,Milataxel,DrugBank,drug,CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C,DRUG_7906
7907,7907,7907,7907,7907,7907,7907,7907,DB16967,Enadoline,DrugBank,drug,CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2,DRUG_7907
7908,7908,7908,7908,7908,7908,7908,7908,DB05047,CX-717,DrugBank,drug,O=C(N1CCOCC1)C1=CC2=NON=C2C=C1,DRUG_7908
7909,7909,7909,7909,7909,7909,7909,7909,DB15131,Interferon alfa-2c,DrugBank,drug,,DRUG_7909
7910,7910,7910,7910,7910,7910,7910,7910,DB01437,Glutethimide,DrugBank,drug,CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,DRUG_7910
7911,7911,7911,7911,7911,7911,7911,7911,DB02594,2'-Deoxycytidine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,DRUG_7911
7912,7912,7912,7912,7912,7912,7912,7912,DB07177,"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID",DrugBank,drug,[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O,DRUG_7912
7913,7913,7913,7913,7913,7913,7913,7913,DB00429,Carboprost tromethamine,DrugBank,drug,NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,DRUG_7913
7914,7914,7914,7914,7914,7914,7914,7914,DB01086,Benzocaine,DrugBank,drug,CCOC(=O)C1=CC=C(N)C=C1,DRUG_7914
7915,7915,7915,7915,7915,7915,7915,7915,DB00296,Ropivacaine,DrugBank,drug,CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,DRUG_7915
7916,7916,7916,7916,7916,7916,7916,7916,DB04924,Itopride,DrugBank,drug,COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,DRUG_7916
7917,7917,7917,7917,7917,7917,7917,7917,DB16275,Otlertuzumab,DrugBank,drug,,DRUG_7917
7918,7918,7918,7918,7918,7918,7918,7918,DB00468,Quinine,DrugBank,drug,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,DRUG_7918
7919,7919,7919,7919,7919,7919,7919,7919,DB04908,Flibanserin,DrugBank,drug,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1,DRUG_7919
7920,7920,7920,7920,7920,7920,7920,7920,DB16854,Caryophyllene,DrugBank,drug,[H][C@]12CC(C)(C)[C@]1([H])CC\C(C)=C/CCC2=C,DRUG_7920
7921,7921,7921,7921,7921,7921,7921,7921,DB04021,MF268,DrugBank,drug,[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1,DRUG_7921
7922,7922,7922,7922,7922,7922,7922,7922,DB00539,Toremifene,DrugBank,drug,CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,DRUG_7922
7923,7923,7923,7923,7923,7923,7923,7923,DB00216,Eletriptan,DrugBank,drug,CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2,DRUG_7923
7924,7924,7924,7924,7924,7924,7924,7924,DB15170,Evobrutinib,DrugBank,drug,NC1=NC=NC(NCC2CCN(CC2)C(=O)C=C)=C1C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_7924
7925,7925,7925,7925,7925,7925,7925,7925,DB00698,Nitrofurantoin,DrugBank,drug,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,DRUG_7925
7926,7926,7926,7926,7926,7926,7926,7926,DB11901,Apalutamide,DrugBank,drug,CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F,DRUG_7926
7927,7927,7927,7927,7927,7927,7927,7927,DB15010,Edasalonexent,DrugBank,drug,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCNC(=O)C1=C(O)C=CC=C1,DRUG_7927
7928,7928,7928,7928,7928,7928,7928,7928,DB08168,Coumarin 120,DrugBank,drug,CC1=CC(=O)OC2=C1C=CC(N)=C2,DRUG_7928
7929,7929,7929,7929,7929,7929,7929,7929,DB00304,Desogestrel,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],DRUG_7929
7930,7930,7930,7930,7930,7930,7930,7930,DB06650,Ofatumumab,DrugBank,drug,,DRUG_7930
7931,7931,7931,7931,7931,7931,7931,7931,DB03963,S-(Dimethylarsenic)Cysteine,DrugBank,drug,[H][C@](N)(CS[As](C)C)C(O)=O,DRUG_7931
7932,7932,7932,7932,7932,7932,7932,7932,DB16056,GZ-389988,DrugBank,drug,COC1=CC=C(COC2=CC=C(CN3C(N)=NC4=C3N=CC(=C4)C3=CN(C)N=C3)C=C2OC)C=C1,DRUG_7932
7933,7933,7933,7933,7933,7933,7933,7933,DB13754,Mephenoxalone,DrugBank,drug,COC1=C(OCC2CNC(=O)O2)C=CC=C1,DRUG_7933
7934,7934,7934,7934,7934,7934,7934,7934,DB03946,"3,4-Dihydroxybenzoic Acid",DrugBank,drug,OC(=O)C1=CC(O)=C(O)C=C1,DRUG_7934
7935,7935,7935,7935,7935,7935,7935,7935,DB13432,Lonazolac,DrugBank,drug,OC(=O)CC1=CN(N=C1C1=CC=C(Cl)C=C1)C1=CC=CC=C1,DRUG_7935
7936,7936,7936,7936,7936,7936,7936,7936,DB08749,3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE,DrugBank,drug,CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1,DRUG_7936
7937,7937,7937,7937,7937,7937,7937,7937,DB06250,Fluasterone,DrugBank,drug,C[C@]12CC[C@H]3[C@@H](CC=C4CCCC[C@]34C)[C@@H]1C[C@@H](F)C2=O,DRUG_7937
7938,7938,7938,7938,7938,7938,7938,7938,DB00293,Raltitrexed,DrugBank,drug,CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,DRUG_7938
7939,7939,7939,7939,7939,7939,7939,7939,DB17131,JAB-3068,DrugBank,drug,CC(=O)N1CC(F)(F)C2=C(SC3=NC=C(N=C3N)N3CCC4(COC[C@H]4N)CC3)C=CC=C12,DRUG_7939
7940,7940,7940,7940,7940,7940,7940,7940,DB17670,VK-0214,DrugBank,drug,CC1=CC(OCP(O)(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1,DRUG_7940
7941,7941,7941,7941,7941,7941,7941,7941,DB09083,Ivabradine,DrugBank,drug,COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1,DRUG_7941
7942,7942,7942,7942,7942,7942,7942,7942,DB07364,"6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE",DrugBank,drug,CCCCC1=C(NC2=NC=CN=C12)C1=CC=C(O)C=C1,DRUG_7942
7943,7943,7943,7943,7943,7943,7943,7943,DB12674,Lurbinectedin,DrugBank,drug,[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4NC4=CC=C(OC)C=C54)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@@]2([H])N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31,DRUG_7943
7944,7944,7944,7944,7944,7944,7944,7944,DB05409,NCX 701,DrugBank,drug,CC(=O)NC1=CC=C(OC(=O)CCCO[N+]([O-])=O)C=C1,DRUG_7944
7945,7945,7945,7945,7945,7945,7945,7945,DB08409,4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE,DrugBank,drug,OC(=O)CNC(=O)CCC[P@@](O)(=O)OCC1=CC=C(C=C1)[N+]([O-])=O,DRUG_7945
7946,7946,7946,7946,7946,7946,7946,7946,DB09436,Technetium Tc-99m succimer,DrugBank,drug,[99Tc].OC(=O)[C@@H](S)[C@@H](S)C(O)=O,DRUG_7946
7947,7947,7947,7947,7947,7947,7947,7947,DB00813,Fentanyl,DrugBank,drug,CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_7947
7948,7948,7948,7948,7948,7948,7948,7948,DB04379,N-Methyl-N-(Methylbenzyl)Formamide,DrugBank,drug,[H][C@@](C)(N(C)C=O)C1=CC=CC=C1,DRUG_7948
7949,7949,7949,7949,7949,7949,7949,7949,DB00737,Meclizine,DrugBank,drug,CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1,DRUG_7949
7950,7950,7950,7950,7950,7950,7950,7950,DB03777,Bisindolylmaleimide I,DrugBank,drug,CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,DRUG_7950
7951,7951,7951,7951,7951,7951,7951,7951,DB02894,"Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester",DrugBank,drug,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OS(=O)(=O)O2,DRUG_7951
7952,7952,7952,7952,7952,7952,7952,7952,DB00784,Mefenamic acid,DrugBank,drug,CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1,DRUG_7952
7953,7953,7953,7953,7953,7953,7953,7953,DB06211,Doripenem,DrugBank,drug,[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,DRUG_7953
7954,7954,7954,7954,7954,7954,7954,7954,DB15623,TMC-310911,DrugBank,drug,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C2N=C(NC3CCN(CC3)C3CCCC3)SC2=C1,DRUG_7954
7955,7955,7955,7955,7955,7955,7955,7955,DB09051,Elosulfase alfa,DrugBank,drug,,DRUG_7955
7956,7956,7956,7956,7956,7956,7956,7956,DB01733,L-Phospholactate,DrugBank,drug,C[C@@H](OP(O)(O)=O)C(O)=O,DRUG_7956
7957,7957,7957,7957,7957,7957,7957,7957,DB04644,"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID",DrugBank,drug,CC1=C(C)C(OCCCC(O)=O)=CC=C1NC(=O)NC(=O)C1=CC=C(Cl)C=C1Cl,DRUG_7957
7958,7958,7958,7958,7958,7958,7958,7958,DB01151,Desipramine,DrugBank,drug,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12,DRUG_7958
7959,7959,7959,7959,7959,7959,7959,7959,DB09074,Olaparib,DrugBank,drug,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1,DRUG_7959
7960,7960,7960,7960,7960,7960,7960,7960,DB05383,Pimagedine,DrugBank,drug,NNC(N)=N,DRUG_7960
7961,7961,7961,7961,7961,7961,7961,7961,DB07269,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID,DrugBank,drug,[H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,DRUG_7961
7962,7962,7962,7962,7962,7962,7962,7962,DB08137,(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide,DrugBank,drug,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1,DRUG_7962
7963,7963,7963,7963,7963,7963,7963,7963,DB04527,beta-Hydroxyasparagine,DrugBank,drug,N[C@@H]([C@H](O)C(N)=O)C(O)=O,DRUG_7963
7964,7964,7964,7964,7964,7964,7964,7964,DB06538,Robalzotan,DrugBank,drug,NC(=O)C1=C2C[C@H](COC2=C(F)C=C1)N(C1CCC1)C1CCC1,DRUG_7964
7965,7965,7965,7965,7965,7965,7965,7965,DB13280,Aluminium acetoacetate,DrugBank,drug,[Al+3].CC(=O)CC([O-])=O.CC(=O)CC([O-])=O.CC(=O)CC([O-])=O,DRUG_7965
7966,7966,7966,7966,7966,7966,7966,7966,DB04574,Estrone sulfate,DrugBank,drug,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,DRUG_7966
7967,7967,7967,7967,7967,7967,7967,7967,DB13590,Calcium pangamate,DrugBank,drug,[Ca++].CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.CN(C)CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,DRUG_7967
7968,7968,7968,7968,7968,7968,7968,7968,DB11282,Diethyltoluamide,DrugBank,drug,CCN(CC)C(=O)C1=CC(C)=CC=C1,DRUG_7968
7969,7969,7969,7969,7969,7969,7969,7969,DB07893,PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE,DrugBank,drug,[H][C@@](CCCC)(NC(=O)CCC(O)=O)[P@](O)(=O)OC1=CC=CC=C1,DRUG_7969
7970,7970,7970,7970,7970,7970,7970,7970,DB00504,Levallorphan,DrugBank,drug,[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2,DRUG_7970
7971,7971,7971,7971,7971,7971,7971,7971,DB12770,Lafutidine,DrugBank,drug,O=C(CS(=O)CC1=CC=CO1)NC\C=C/COC1=NC=CC(CN2CCCCC2)=C1,DRUG_7971
7972,7972,7972,7972,7972,7972,7972,7972,DB08166,"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",DrugBank,drug,[H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1,DRUG_7972
7973,7973,7973,7973,7973,7973,7973,7973,DB11003,Anthrax vaccine,DrugBank,drug,,DRUG_7973
7974,7974,7974,7974,7974,7974,7974,7974,DB06931,"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",DrugBank,drug,CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_7974
7975,7975,7975,7975,7975,7975,7975,7975,DB02616,FR117016,DrugBank,drug,NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1,DRUG_7975
7976,7976,7976,7976,7976,7976,7976,7976,DB04614,(R)-tacrine(10)-hupyridone,DrugBank,drug,O=C1NC2=C(C=C1)[C@@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,DRUG_7976
7977,7977,7977,7977,7977,7977,7977,7977,DB16756,Ivarmacitinib,DrugBank,drug,[H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC1=NC(OC)=NS1)N(C)C1=NC=NC2=C1C=CN2,DRUG_7977
7978,7978,7978,7978,7978,7978,7978,7978,DB11884,Vadastuximab talirine,DrugBank,drug,,DRUG_7978
7979,7979,7979,7979,7979,7979,7979,7979,DB05025,Arimoclomol,DrugBank,drug,O[C@@H](CON=C(Cl)C1=C[N+]([O-])=CC=C1)CN1CCCCC1,DRUG_7979
7980,7980,7980,7980,7980,7980,7980,7980,DB07314,"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA",DrugBank,drug,COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl,DRUG_7980
7981,7981,7981,7981,7981,7981,7981,7981,DB11792,Mirodenafil,DrugBank,drug,CCCOC1=CC=C(C=C1C1=NC2=C(N(CC)C=C2CCC)C(=O)N1)S(=O)(=O)N1CCN(CCO)CC1,DRUG_7981
7982,7982,7982,7982,7982,7982,7982,7982,DB03765,2'-cytidylic acid,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,DRUG_7982
7983,7983,7983,7983,7983,7983,7983,7983,DB04180,"4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1,DRUG_7983
7984,7984,7984,7984,7984,7984,7984,7984,DB16165,Finerenone,DrugBank,drug,CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2,DRUG_7984
7985,7985,7985,7985,7985,7985,7985,7985,DB15441,Lulizumab pegol,DrugBank,drug,,DRUG_7985
7986,7986,7986,7986,7986,7986,7986,7986,DB12023,Benralizumab,DrugBank,drug,,DRUG_7986
7987,7987,7987,7987,7987,7987,7987,7987,DB12425,Liothyronine I-131,DrugBank,drug,N[C@@H](CC1=CC([131I])=C(OC2=CC([131I])=C(O)C=C2)C([131I])=C1)C(O)=O,DRUG_7987
7988,7988,7988,7988,7988,7988,7988,7988,DB00396,Progesterone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_7988
7989,7989,7989,7989,7989,7989,7989,7989,DB06478,Porfiromycin,DrugBank,drug,CO[C@]12[C@@H]3[C@H](CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O)N3C,DRUG_7989
7990,7990,7990,7990,7990,7990,7990,7990,DB05407,TBC-3711,DrugBank,drug,CC(=O)C1=C(NC(=O)C2=C(C=CS2)S(=O)(=O)NC2=C(C)C(C)=NO2)C(C)=CC(C)=C1,DRUG_7990
7991,7991,7991,7991,7991,7991,7991,7991,DB01833,Canavanine,DrugBank,drug,N[C@@H](CCONC(N)=N)C(O)=O,DRUG_7991
7992,7992,7992,7992,7992,7992,7992,7992,DB00998,Frovatriptan,DrugBank,drug,CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O,DRUG_7992
7993,7993,7993,7993,7993,7993,7993,7993,DB07289,5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID,DrugBank,drug,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O,DRUG_7993
7994,7994,7994,7994,7994,7994,7994,7994,DB04083,N(6)-(pyridoxal phosphate)-L-lysine,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O,DRUG_7994
7995,7995,7995,7995,7995,7995,7995,7995,DB19306,XK-469 free acid,DrugBank,drug,CC(OC1=CC=C(OC2=NC3=CC(Cl)=CC=C3N=C2)C=C1)C(O)=O,DRUG_7995
7996,7996,7996,7996,7996,7996,7996,7996,DB01816,Castanospermine,DrugBank,drug,[H][C@]1(O)CCN2C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]12[H],DRUG_7996
7997,7997,7997,7997,7997,7997,7997,7997,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",DrugBank,drug,CN1C=NN=C1SC1=NC(C(=O)NC2=NC(C)=CS2)=C(SC2=CC=C(F)C=C2)C=C1,DRUG_7997
7998,7998,7998,7998,7998,7998,7998,7998,DB06855,6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine,DrugBank,drug,CC(C)COC1=C([O-])C(=CC=C1)C1=NC2=CC(C(N)=[NH2+])=C(F)C=C2N1,DRUG_7998
7999,7999,7999,7999,7999,7999,7999,7999,DB11097,Plantago seed,DrugBank,drug,,DRUG_7999
8000,8000,8000,8000,8000,8000,8000,8000,DB07318,"N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE",DrugBank,drug,[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1,DRUG_8000
8001,8001,8001,8001,8001,8001,8001,8001,DB04491,Diisopropylphosphono Group,DrugBank,drug,CC(C)OP(=O)OC(C)C,DRUG_8001
8002,8002,8002,8002,8002,8002,8002,8002,DB13832,Ranimustine,DrugBank,drug,CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O,DRUG_8002
8003,8003,8003,8003,8003,8003,8003,8003,DB01192,Oxymorphone,DrugBank,drug,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,DRUG_8003
8004,8004,8004,8004,8004,8004,8004,8004,DB04013,1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide,DrugBank,drug,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(=O)OC,DRUG_8004
8005,8005,8005,8005,8005,8005,8005,8005,DB07660,AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH,DrugBank,drug,[H][C@@](CCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,DRUG_8005
8006,8006,8006,8006,8006,8006,8006,8006,DB06866,6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,DrugBank,drug,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=C(C=C2)C1=CC(OC)=CC=C1,DRUG_8006
8007,8007,8007,8007,8007,8007,8007,8007,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",DrugBank,drug,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1,DRUG_8007
8008,8008,8008,8008,8008,8008,8008,8008,DB07960,"5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID",DrugBank,drug,[H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O,DRUG_8008
8009,8009,8009,8009,8009,8009,8009,8009,DB12783,Benserazide,DrugBank,drug,NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1,DRUG_8009
8010,8010,8010,8010,8010,8010,8010,8010,DB12531,Lobucavir,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)[C@H]2CO)C(=O)N1,DRUG_8010
8011,8011,8011,8011,8011,8011,8011,8011,DB12470,Dexelvucitabine,DrugBank,drug,NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](CO)C=C1,DRUG_8011
8012,8012,8012,8012,8012,8012,8012,8012,DB02500,6-(Dihydroxy-Isobutyl)-Thymine,DrugBank,drug,CC1=C(CC(CO)CO)NC(=O)NC1=O,DRUG_8012
8013,8013,8013,8013,8013,8013,8013,8013,DB07796,"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE",DrugBank,drug,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)=[NH2+])[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)C(=O)[C@@]21[H],DRUG_8013
8014,8014,8014,8014,8014,8014,8014,8014,DB03399,Ethyl Isocyanide,DrugBank,drug,CC[N+]#C,DRUG_8014
8015,8015,8015,8015,8015,8015,8015,8015,DB00734,Risperidone,DrugBank,drug,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1,DRUG_8015
8016,8016,8016,8016,8016,8016,8016,8016,DB09186,Nisoxetine,DrugBank,drug,CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1,DRUG_8016
8017,8017,8017,8017,8017,8017,8017,8017,DB14643,Methylprednisolone aceponate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,DRUG_8017
8018,8018,8018,8018,8018,8018,8018,8018,DB19028,Atamparib,DrugBank,drug,C[C@@H](COCCC(=O)N1CCN(CC1)C1=NC=C(C=N1)C(F)(F)F)NC1=C(C(=O)NN=C1)C(F)(F)F,DRUG_8018
8019,8019,8019,8019,8019,8019,8019,8019,DB08593,"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE",DrugBank,drug,O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1,DRUG_8019
8020,8020,8020,8020,8020,8020,8020,8020,DB13293,Ipecac,DrugBank,drug,,DRUG_8020
8021,8021,8021,8021,8021,8021,8021,8021,DB07897,1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE,DrugBank,drug,OCCCCCCCCNCO,DRUG_8021
8022,8022,8022,8022,8022,8022,8022,8022,DB06738,Ketobemidone,DrugBank,drug,CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1,DRUG_8022
8023,8023,8023,8023,8023,8023,8023,8023,DB06370,Indisulam,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC2=C1NC=C2Cl,DRUG_8023
8024,8024,8024,8024,8024,8024,8024,8024,DB09481,Magnesium carbonate,DrugBank,drug,[Mg++].[O-]C([O-])=O,DRUG_8024
8025,8025,8025,8025,8025,8025,8025,8025,DB16370,Mezagitamab,DrugBank,drug,,DRUG_8025
8026,8026,8026,8026,8026,8026,8026,8026,DB11974,PF-04691502,DrugBank,drug,COC1=CC=C(C=N1)C1=CC2=C(C)N=C(N)N=C2N([C@H]2CC[C@@H](CC2)OCCO)C1=O,DRUG_8026
8027,8027,8027,8027,8027,8027,8027,8027,DB00651,Dyphylline,DrugBank,drug,CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O,DRUG_8027
8028,8028,8028,8028,8028,8028,8028,8028,DB03535,Z-Pro-Prolinal,DrugBank,drug,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O,DRUG_8028
8029,8029,8029,8029,8029,8029,8029,8029,DB09203,Synephrine,DrugBank,drug,CNCC(O)C1=CC=C(O)C=C1,DRUG_8029
8030,8030,8030,8030,8030,8030,8030,8030,DB11568,Insulin tregopil,DrugBank,drug,,DRUG_8030
8031,8031,8031,8031,8031,8031,8031,8031,DB03614,Mecobalamin,DrugBank,drug,C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O,DRUG_8031
8032,8032,8032,8032,8032,8032,8032,8032,DB06530,Resiquimod,DrugBank,drug,CCOCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CC(C)(C)O,DRUG_8032
8033,8033,8033,8033,8033,8033,8033,8033,DB00808,Indapamide,DrugBank,drug,CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,DRUG_8033
8034,8034,8034,8034,8034,8034,8034,8034,DB07244,"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE",DrugBank,drug,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1,DRUG_8034
8035,8035,8035,8035,8035,8035,8035,8035,DB01439,3-Methylthiofentanyl,DrugBank,drug,CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1,DRUG_8035
8036,8036,8036,8036,8036,8036,8036,8036,DB02341,"Mdl 101,146",DrugBank,drug,CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F,DRUG_8036
8037,8037,8037,8037,8037,8037,8037,8037,DB01054,Nitrendipine,DrugBank,drug,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC,DRUG_8037
8038,8038,8038,8038,8038,8038,8038,8038,DB06140,SUVN-502,DrugBank,drug,COC1=CC=C2N(C=C(CN3CCN(C)CC3)C2=C1)S(=O)(=O)C1=CC=CC=C1Br,DRUG_8038
8039,8039,8039,8039,8039,8039,8039,8039,DB01149,Nefazodone,DrugBank,drug,CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1,DRUG_8039
8040,8040,8040,8040,8040,8040,8040,8040,DB16955,RG-2833,DrugBank,drug,CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC1=CC=CC=C1N,DRUG_8040
8041,8041,8041,8041,8041,8041,8041,8041,DB00370,Mirtazapine,DrugBank,drug,CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1,DRUG_8041
8042,8042,8042,8042,8042,8042,8042,8042,DB01483,Barbital,DrugBank,drug,CCC1(CC)C(=O)NC(=O)NC1=O,DRUG_8042
8043,8043,8043,8043,8043,8043,8043,8043,DB00909,Zonisamide,DrugBank,drug,NS(=O)(=O)CC1=NOC2=CC=CC=C12,DRUG_8043
8044,8044,8044,8044,8044,8044,8044,8044,DB04107,[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester,DrugBank,drug,CCOC(=O)CO\N=C(\C1=CC=CC=N1)C1(CC1)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(N)=N)=NC2=C1,DRUG_8044
8045,8045,8045,8045,8045,8045,8045,8045,DB07064,"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE",DrugBank,drug,[H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1,DRUG_8045
8046,8046,8046,8046,8046,8046,8046,8046,DB13667,Cefozopran,DrugBank,drug,[H][C@]12SCC(C[N+]3=C4C=CC=NN4C=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=NSC(N)=N1)C([O-])=O,DRUG_8046
8047,8047,8047,8047,8047,8047,8047,8047,DB06422,Ticalopride,DrugBank,drug,CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,DRUG_8047
8048,8048,8048,8048,8048,8048,8048,8048,DB15445,Iodohippuric acid,DrugBank,drug,OC(=O)CNC(=O)C1=CC=CC=C1I,DRUG_8048
8049,8049,8049,8049,8049,8049,8049,8049,DB05036,Grn163l,DrugBank,drug,,DRUG_8049
8050,8050,8050,8050,8050,8050,8050,8050,DB11100,Allantoin,DrugBank,drug,NC(=O)NC1NC(=O)NC1=O,DRUG_8050
8051,8051,8051,8051,8051,8051,8051,8051,DB08499,"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide",DrugBank,drug,FCCOC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C3C(=O)NC(=O)C(=O)C3=C2)=C1,DRUG_8051
8052,8052,8052,8052,8052,8052,8052,8052,DB00739,Hetacillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O,DRUG_8052
8053,8053,8053,8053,8053,8053,8053,8053,DB13331,Pyrithyldione,DrugBank,drug,CCC1(CC)C(=O)NC=CC1=O,DRUG_8053
8054,8054,8054,8054,8054,8054,8054,8054,DB15415,Tomaralimab,DrugBank,drug,,DRUG_8054
8055,8055,8055,8055,8055,8055,8055,8055,DB04662,OLOMOUCINE II,DrugBank,drug,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1,DRUG_8055
8056,8056,8056,8056,8056,8056,8056,8056,DB13953,Estradiol benzoate,DrugBank,drug,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C,DRUG_8056
8057,8057,8057,8057,8057,8057,8057,8057,DB07556,CGS-27023,DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO,DRUG_8057
8058,8058,8058,8058,8058,8058,8058,8058,DB03632,Argifin,DrugBank,drug,CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(O)=O)C(O)=O,DRUG_8058
8059,8059,8059,8059,8059,8059,8059,8059,DB06634,Casopitant,DrugBank,drug,C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_8059
8060,8060,8060,8060,8060,8060,8060,8060,DB02821,Canaline,DrugBank,drug,NOCC[C@H](N)C(O)=O,DRUG_8060
8061,8061,8061,8061,8061,8061,8061,8061,DB07351,O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE,DrugBank,drug,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)NC[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O,DRUG_8061
8062,8062,8062,8062,8062,8062,8062,8062,DB05889,Inotuzumab ozogamicin,DrugBank,drug,,DRUG_8062
8063,8063,8063,8063,8063,8063,8063,8063,DB15096,18-methoxycoronaridine,DrugBank,drug,COCC[C@H]1C[C@H]2CN3CCC4=C(NC5=C4C=CC=C5)[C@](C2)([C@H]13)C(=O)OC,DRUG_8063
8064,8064,8064,8064,8064,8064,8064,8064,DB04059,8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide,DrugBank,drug,NC(=N)C1=CC2=C(C=CC=C2NC2=NC=CC=N2)C=C1,DRUG_8064
8065,8065,8065,8065,8065,8065,8065,8065,DB08153,"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE",DrugBank,drug,OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl,DRUG_8065
8066,8066,8066,8066,8066,8066,8066,8066,DB11544,Salinomycin,DrugBank,drug,[H][C@@](C)(C(=O)[C@]([H])(CC)[C@@]1([H])O[C@@]2(O[C@@]3(CC[C@](C)(O3)[C@@]3([H])CC[C@](O)(CC)[C@]([H])(C)O3)[C@]([H])(O)C=C2)[C@]([H])(C)C[C@]1([H])C)[C@@]([H])(O)[C@]([H])(C)[C@]1([H])O[C@]([H])(CC[C@]1([H])C)[C@@]([H])(CC)C(O)=O,DRUG_8066
8067,8067,8067,8067,8067,8067,8067,8067,DB10370,Festuca pratensis pollen,DrugBank,drug,,DRUG_8067
8068,8068,8068,8068,8068,8068,8068,8068,DB05678,SLx-4090,DrugBank,drug,COC1=CC=CC(C(=O)NC2=CC3=C(CN(CC3)C(=O)OC3=CC=CC=C3)C=C2)=C1C1=CC=C(C=C1)C(F)(F)F,DRUG_8068
8069,8069,8069,8069,8069,8069,8069,8069,DB13928,Semaglutide,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O,DRUG_8069
8070,8070,8070,8070,8070,8070,8070,8070,DB02953,2-Thiomethyl-3-Phenylpropanoic Acid,DrugBank,drug,[H][C@](CS)(CC1=CC=CC=C1)C(O)=O,DRUG_8070
8071,8071,8071,8071,8071,8071,8071,8071,DB07609,"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE",DrugBank,drug,CN(C)CC1=CC=C(O1)C1=CC=CN=C1,DRUG_8071
8072,8072,8072,8072,8072,8072,8072,8072,DB09106,Hydroxyethyl Starch,DrugBank,drug,,DRUG_8072
8073,8073,8073,8073,8073,8073,8073,8073,DB01558,Bromazepam,DrugBank,drug,BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1,DRUG_8073
8074,8074,8074,8074,8074,8074,8074,8074,DB12335,Tanezumab,DrugBank,drug,,DRUG_8074
8075,8075,8075,8075,8075,8075,8075,8075,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,DrugBank,drug,[H][C@]1(CCN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C1)NC(=O)C1=CC=C(Cl)S1,DRUG_8075
8076,8076,8076,8076,8076,8076,8076,8076,DB03383,CP-320626,DrugBank,drug,OC1CCN(CC1)C(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,DRUG_8076
8077,8077,8077,8077,8077,8077,8077,8077,DB02968,Penicillin G Acyl-Serine,DrugBank,drug,[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])CC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O,DRUG_8077
8078,8078,8078,8078,8078,8078,8078,8078,DB11721,Mitoglitazone,DrugBank,drug,CCC1=CN=C(C=C1)C(=O)COC1=CC=C(CC2SC(=O)NC2=O)C=C1,DRUG_8078
8079,8079,8079,8079,8079,8079,8079,8079,DB11921,Deflazacort,DrugBank,drug,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O,DRUG_8079
8080,8080,8080,8080,8080,8080,8080,8080,DB05786,Irofulven,DrugBank,drug,CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,DRUG_8080
8081,8081,8081,8081,8081,8081,8081,8081,DB07687,"4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE",DrugBank,drug,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,DRUG_8081
8082,8082,8082,8082,8082,8082,8082,8082,DB01081,Diphenoxylate,DrugBank,drug,CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_8082
8083,8083,8083,8083,8083,8083,8083,8083,DB12088,TT-232,DrugBank,drug,C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=CC=CC=C23)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O,DRUG_8083
8084,8084,8084,8084,8084,8084,8084,8084,DB06637,Dalfampridine,DrugBank,drug,NC1=CC=NC=C1,DRUG_8084
8085,8085,8085,8085,8085,8085,8085,8085,DB05258,Interferon alfa,DrugBank,drug,,DRUG_8085
8086,8086,8086,8086,8086,8086,8086,8086,DB13374,Vincamine,DrugBank,drug,[H][C@]12N3CCC[C@@]1(CC)C[C@@](O)(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OC,DRUG_8086
8087,8087,8087,8087,8087,8087,8087,8087,DB07172,"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid",DrugBank,drug,[H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC,DRUG_8087
8088,8088,8088,8088,8088,8088,8088,8088,DB13154,Parachlorophenol,DrugBank,drug,OC1=CC=C(Cl)C=C1,DRUG_8088
8089,8089,8089,8089,8089,8089,8089,8089,DB08778,"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone",DrugBank,drug,CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1,DRUG_8089
8090,8090,8090,8090,8090,8090,8090,8090,DB16495,Oleic monoethanolamide,DrugBank,drug,CCCCCCCC\C=C/CCCCCCCC(=O)NCCO,DRUG_8090
8091,8091,8091,8091,8091,8091,8091,8091,DB14979,Martinostat,DrugBank,drug,CN(CC1=CC=C(\C=C\C(=O)NO)C=C1)CC12CC3CC(CC(C3)C1)C2,DRUG_8091
8092,8092,8092,8092,8092,8092,8092,8092,DB09343,Tipiracil,DrugBank,drug,ClC1=C(CN2CCCC2=N)NC(=O)NC1=O,DRUG_8092
8093,8093,8093,8093,8093,8093,8093,8093,DB05149,XL844,DrugBank,drug,,DRUG_8093
8094,8094,8094,8094,8094,8094,8094,8094,DB00160,Alanine,DrugBank,drug,C[C@H](N)C(O)=O,DRUG_8094
8095,8095,8095,8095,8095,8095,8095,8095,DB14394,Influenza A virus A/California/7/2009 (H1N1) live (attenuated) antigen,DrugBank,drug,,DRUG_8095
8096,8096,8096,8096,8096,8096,8096,8096,DB05003,Imexon,DrugBank,drug,NC1=NC(=O)N2CC12,DRUG_8096
8097,8097,8097,8097,8097,8097,8097,8097,DB08970,Fluprednidene,DrugBank,drug,[H][C@@]12CC(=C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_8097
8098,8098,8098,8098,8098,8098,8098,8098,DB07215,GW-590735,DrugBank,drug,CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1,DRUG_8098
8099,8099,8099,8099,8099,8099,8099,8099,DB02871,3-Butylthiolane 1-Oxide,DrugBank,drug,[H][C@]1(CCCC)CC[S@](=O)C1,DRUG_8099
8100,8100,8100,8100,8100,8100,8100,8100,DB07653,"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE",DrugBank,drug,OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8100
8101,8101,8101,8101,8101,8101,8101,8101,DB06191,Zosuquidar,DrugBank,drug,[H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F,DRUG_8101
8102,8102,8102,8102,8102,8102,8102,8102,DB06609,Odiparcil,DrugBank,drug,[H][C@@]1(O)CS[C@@]([H])(OC2=CC3=C(C=C2)C(C)=CC(=O)O3)[C@]([H])(O)[C@@]1([H])O,DRUG_8102
8103,8103,8103,8103,8103,8103,8103,8103,DB11210,Ferrous bisglycinate,DrugBank,drug,[Fe++].NCC([O-])=O.NCC([O-])=O,DRUG_8103
8104,8104,8104,8104,8104,8104,8104,8104,DB06324,XmAb 2513,DrugBank,drug,,DRUG_8104
8105,8105,8105,8105,8105,8105,8105,8105,DB05586,Facinicline,DrugBank,drug,[H]N([C@@H]1CN2CCC1CC2)C(=O)C1=NN([H])C2=CC=CC=C12,DRUG_8105
8106,8106,8106,8106,8106,8106,8106,8106,DB00944,Demecarium,DrugBank,drug,CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,DRUG_8106
8107,8107,8107,8107,8107,8107,8107,8107,DB07567,"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL",DrugBank,drug,[H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1,DRUG_8107
8108,8108,8108,8108,8108,8108,8108,8108,DB07654,"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC",DrugBank,drug,CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8108
8109,8109,8109,8109,8109,8109,8109,8109,DB00397,Phenylpropanolamine,DrugBank,drug,CC(N)C(O)C1=CC=CC=C1,DRUG_8109
8110,8110,8110,8110,8110,8110,8110,8110,DB05252,Fenoxaprop-ethyl,DrugBank,drug,CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1,DRUG_8110
8111,8111,8111,8111,8111,8111,8111,8111,DB04519,Caprylic acid,DrugBank,drug,CCCCCCCC(O)=O,DRUG_8111
8112,8112,8112,8112,8112,8112,8112,8112,DB12052,Icariin,DrugBank,drug,COC1=CC=C(C=C1)C1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(CC=C(C)C)=C2O1,DRUG_8112
8113,8113,8113,8113,8113,8113,8113,8113,DB10584,Corynebacterium diphtheriae toxoid antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_8113
8114,8114,8114,8114,8114,8114,8114,8114,DB06935,"2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=CC=C(C=C1)C1=C(F)C=CC=C1F,DRUG_8114
8115,8115,8115,8115,8115,8115,8115,8115,DB14212,Methylparaben,DrugBank,drug,COC(=O)C1=CC=C(O)C=C1,DRUG_8115
8116,8116,8116,8116,8116,8116,8116,8116,DB00162,Vitamin A,DrugBank,drug,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,DRUG_8116
8117,8117,8117,8117,8117,8117,8117,8117,DB13352,Deanol,DrugBank,drug,CN(C)CCO,DRUG_8117
8118,8118,8118,8118,8118,8118,8118,8118,DB08526,CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE,DrugBank,drug,[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1,DRUG_8118
8119,8119,8119,8119,8119,8119,8119,8119,DB01599,Probucol,DrugBank,drug,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,DRUG_8119
8120,8120,8120,8120,8120,8120,8120,8120,DB05023,ATL1101,DrugBank,drug,,DRUG_8120
8121,8121,8121,8121,8121,8121,8121,8121,DB08121,(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,DRUG_8121
8122,8122,8122,8122,8122,8122,8122,8122,DB08132,5-hydroxynaphthalene-1-sulfonamide,DrugBank,drug,NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1,DRUG_8122
8123,8123,8123,8123,8123,8123,8123,8123,DB07295,2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID,DrugBank,drug,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12,DRUG_8123
8124,8124,8124,8124,8124,8124,8124,8124,DB01416,Cefpodoxime,DrugBank,drug,[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,DRUG_8124
8125,8125,8125,8125,8125,8125,8125,8125,DB03894,N-Propargyl-1(S)-Aminoindan,DrugBank,drug,[H][C@@]1(CCC2=C1C=CC=C2)NCC#C,DRUG_8125
8126,8126,8126,8126,8126,8126,8126,8126,DB05014,XL999,DrugBank,drug,,DRUG_8126
8127,8127,8127,8127,8127,8127,8127,8127,DB08073,(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE,DrugBank,drug,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12,DRUG_8127
8128,8128,8128,8128,8128,8128,8128,8128,DB08464,"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE",DrugBank,drug,COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O,DRUG_8128
8129,8129,8129,8129,8129,8129,8129,8129,DB08352,"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine",DrugBank,drug,CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F,DRUG_8129
8130,8130,8130,8130,8130,8130,8130,8130,DB08777,"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE",DrugBank,drug,O=C1NC=NC2=C1C1=C(CCCC1)S2,DRUG_8130
8131,8131,8131,8131,8131,8131,8131,8131,DB00550,Propylthiouracil,DrugBank,drug,CCCC1=CC(=O)NC(=S)N1,DRUG_8131
8132,8132,8132,8132,8132,8132,8132,8132,DB13716,Dibutylphthalate,DrugBank,drug,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,DRUG_8132
8133,8133,8133,8133,8133,8133,8133,8133,DB01380,Cortisone acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_8133
8134,8134,8134,8134,8134,8134,8134,8134,DB03415,3-thiaoctanoyl-CoA,DrugBank,drug,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_8134
8135,8135,8135,8135,8135,8135,8135,8135,DB00325,Nitroprusside,DrugBank,drug,O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N,DRUG_8135
8136,8136,8136,8136,8136,8136,8136,8136,DB03419,Uracil,DrugBank,drug,O=C1NC=CC(=O)N1,DRUG_8136
8137,8137,8137,8137,8137,8137,8137,8137,DB12919,T-62,DrugBank,drug,NC1=C(C(=O)C2=CC=C(Cl)C=C2)C2=C(CCCC2)S1,DRUG_8137
8138,8138,8138,8138,8138,8138,8138,8138,DB07281,"N~3~-BENZYLPYRIDINE-2,3-DIAMINE",DrugBank,drug,NC1=NC=CC=C1NCC1=CC=CC=C1,DRUG_8138
8139,8139,8139,8139,8139,8139,8139,8139,DB07006,"9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",DrugBank,drug,COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O,DRUG_8139
8140,8140,8140,8140,8140,8140,8140,8140,DB13892,Crotalus atrox antivenin,DrugBank,drug,,DRUG_8140
8141,8141,8141,8141,8141,8141,8141,8141,DB05374,Rindopepimut,DrugBank,drug,,DRUG_8141
8142,8142,8142,8142,8142,8142,8142,8142,DB12148,Menatetrenone,DrugBank,drug,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(=O)C2=CC=CC=C2C1=O)=C(\C)CCC=C(C)C,DRUG_8142
8143,8143,8143,8143,8143,8143,8143,8143,DB09238,Manidipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8143
8144,8144,8144,8144,8144,8144,8144,8144,DB04275,N-acetylserotonin,DrugBank,drug,CC(=O)NCCC1=CNC2=C1C=C(O)C=C2,DRUG_8144
8145,8145,8145,8145,8145,8145,8145,8145,DB12795,CMX-2043,DrugBank,drug,C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CCCC[C@@H]1CCSS1)C(O)=O,DRUG_8145
8146,8146,8146,8146,8146,8146,8146,8146,DB12798,Relenopride,DrugBank,drug,COC1=CC(N)=C(Cl)C=C1C(=O)NCC1CCN(CC[C@H](OC(N)=O)C2=CC=C(F)C=C2)CC1,DRUG_8146
8147,8147,8147,8147,8147,8147,8147,8147,DB11348,Calcium Phosphate,DrugBank,drug,[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O,DRUG_8147
8148,8148,8148,8148,8148,8148,8148,8148,DB00500,Tolmetin,DrugBank,drug,CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,DRUG_8148
8149,8149,8149,8149,8149,8149,8149,8149,DB06845,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CNC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_8149
8150,8150,8150,8150,8150,8150,8150,8150,DB05470,VX-702,DrugBank,drug,NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F,DRUG_8150
8151,8151,8151,8151,8151,8151,8151,8151,DB04098,Balanol,DrugBank,drug,OC(=O)C1=CC=CC(O)=C1C(=O)C1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)C1=CC=C(O)C=C1,DRUG_8151
8152,8152,8152,8152,8152,8152,8152,8152,DB04654,4-PIPERIDIN-4-YLBUTANAL,DrugBank,drug,O=CCCCC1CCNCC1,DRUG_8152
8153,8153,8153,8153,8153,8153,8153,8153,DB00027,Gramicidin D,DrugBank,drug,CC(C)C[C@@H](NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCCO,DRUG_8153
8154,8154,8154,8154,8154,8154,8154,8154,DB02974,4-(4-Chlorophenyl)Imidazole,DrugBank,drug,ClC1=CC=C(C=C1)C1=CN=CN1,DRUG_8154
8155,8155,8155,8155,8155,8155,8155,8155,DB17064,ZM-39923,DrugBank,drug,CC(C)N(CCC(=O)C1=CC2=C(C=CC=C2)C=C1)CC1=CC=CC=C1,DRUG_8155
8156,8156,8156,8156,8156,8156,8156,8156,DB01242,Clomipramine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,DRUG_8156
8157,8157,8157,8157,8157,8157,8157,8157,DB01364,Ephedrine,DrugBank,drug,CN[C@@H](C)[C@H](O)C1=CC=CC=C1,DRUG_8157
8158,8158,8158,8158,8158,8158,8158,8158,DB01227,Levacetylmethadol,DrugBank,drug,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8158
8159,8159,8159,8159,8159,8159,8159,8159,DB05210,SF1126,DrugBank,drug,,DRUG_8159
8160,8160,8160,8160,8160,8160,8160,8160,DB13581,Rociverine,DrugBank,drug,CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1,DRUG_8160
8161,8161,8161,8161,8161,8161,8161,8161,DB04768,Pyrithiamine Pyrophosphate,DrugBank,drug,CC1=NC=C(C[N+]2=CC=CC(CCO[P@](O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,DRUG_8161
8162,8162,8162,8162,8162,8162,8162,8162,DB03487,(S)-Aspartimide,DrugBank,drug,[H]N1C(=O)C[C@H](N)C1=O,DRUG_8162
8163,8163,8163,8163,8163,8163,8163,8163,DB06421,Declopramide,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1,DRUG_8163
8164,8164,8164,8164,8164,8164,8164,8164,DB06683,Clevudine,DrugBank,drug,CC1=CN([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)C(=O)NC1=O,DRUG_8164
8165,8165,8165,8165,8165,8165,8165,8165,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",DrugBank,drug,[H][C@@]12C[C@]3([H])O[C@]4([H])C\C=C/[C@]([H])(O)[C@@]([H])(CO)O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]([H])(O)[C@@]1([H])OCC=CC[C@]1([H])O2,DRUG_8165
8166,8166,8166,8166,8166,8166,8166,8166,DB00478,Rimantadine,DrugBank,drug,CC(N)C12CC3CC(CC(C3)C1)C2,DRUG_8166
8167,8167,8167,8167,8167,8167,8167,8167,DB13788,Chlorbenzoxamine,DrugBank,drug,CC1=CC=CC=C1CN1CCN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2Cl)CC1,DRUG_8167
8168,8168,8168,8168,8168,8168,8168,8168,DB13245,Thiram,DrugBank,drug,CN(C)C(=S)SSC(=S)N(C)C,DRUG_8168
8169,8169,8169,8169,8169,8169,8169,8169,DB13860,Imidazole salicylate,DrugBank,drug,N1C=CN=C1.OC(=O)C1=CC=CC=C1O,DRUG_8169
8170,8170,8170,8170,8170,8170,8170,8170,DB08911,Trametinib,DrugBank,drug,CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1,DRUG_8170
8171,8171,8171,8171,8171,8171,8171,8171,DB02908,RU78783,DrugBank,drug,OP(O)(=O)C(C1=CC=CC=C1)P(O)(O)=O,DRUG_8171
8172,8172,8172,8172,8172,8172,8172,8172,DB05218,PN0621,DrugBank,drug,,DRUG_8172
8173,8173,8173,8173,8173,8173,8173,8173,DB12353,Ulodesine,DrugBank,drug,OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O,DRUG_8173
8174,8174,8174,8174,8174,8174,8174,8174,DB13713,Quifenadine,DrugBank,drug,OC(C1CN2CCC1CC2)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8174
8175,8175,8175,8175,8175,8175,8175,8175,DB13232,Suxibuzone,DrugBank,drug,CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8175
8176,8176,8176,8176,8176,8176,8176,8176,DB00591,Fluocinolone acetonide,DrugBank,drug,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,DRUG_8176
8177,8177,8177,8177,8177,8177,8177,8177,DB12661,Urapidil,DrugBank,drug,COC1=CC=CC=C1N1CCN(CCCNC2=CC(=O)N(C)C(=O)N2C)CC1,DRUG_8177
8178,8178,8178,8178,8178,8178,8178,8178,DB13485,Sulfametomidine,DrugBank,drug,COC1=NC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1,DRUG_8178
8179,8179,8179,8179,8179,8179,8179,8179,DB02620,3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid,DrugBank,drug,CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O,DRUG_8179
8180,8180,8180,8180,8180,8180,8180,8180,DB09276,Sodium aurothiomalate,DrugBank,drug,[Na+].[Na+].[O-]C(=O)CC(S[Au])C([O-])=O,DRUG_8180
8181,8181,8181,8181,8181,8181,8181,8181,DB15275,Inavolisib,DrugBank,drug,C[C@H](NC1=CC=C2C3=NC(=CN3CCOC2=C1)N1[C@@H](COC1=O)C(F)F)C(N)=O,DRUG_8181
8182,8182,8182,8182,8182,8182,8182,8182,DB14695,Ferric oxyhydroxide,DrugBank,drug,[OH-].[O--].[Fe+3],DRUG_8182
8183,8183,8183,8183,8183,8183,8183,8183,DB12802,Picropodophyllin,DrugBank,drug,COC1=CC(=CC(OC)=C1OC)[C@H]1[C@H]2[C@H](COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12,DRUG_8183
8184,8184,8184,8184,8184,8184,8184,8184,DB08877,Ruxolitinib,DrugBank,drug,N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,DRUG_8184
8185,8185,8185,8185,8185,8185,8185,8185,DB15456,Vericiguat,DrugBank,drug,COC(=O)NC1=C(N)N=C(N=C1N)C1=NN(CC2=CC=CC=C2F)C2=C1C=C(F)C=N2,DRUG_8185
8186,8186,8186,8186,8186,8186,8186,8186,DB08591,"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",DrugBank,drug,COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,DRUG_8186
8187,8187,8187,8187,8187,8187,8187,8187,DB06081,Caplacizumab,DrugBank,drug,,DRUG_8187
8188,8188,8188,8188,8188,8188,8188,8188,DB04985,Tigapotide,DrugBank,drug,,DRUG_8188
8189,8189,8189,8189,8189,8189,8189,8189,DB01397,Magnesium salicylate,DrugBank,drug,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,DRUG_8189
8190,8190,8190,8190,8190,8190,8190,8190,DB12535,AC-430,DrugBank,drug,CC1=CC(NC2=NC(=NC3=CC=CC=C23)C(O)C2=CC=C(F)C=C2)=NN1,DRUG_8190
8191,8191,8191,8191,8191,8191,8191,8191,DB14923,Satavaptan,DrugBank,drug,CCOC1=CC=C2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)C2=C1)S(=O)(=O)C1=CC=C(C=C1OC)C(=O)NC(C)(C)C,DRUG_8191
8192,8192,8192,8192,8192,8192,8192,8192,DB00593,Ethosuximide,DrugBank,drug,CCC1(C)CC(=O)NC1=O,DRUG_8192
8193,8193,8193,8193,8193,8193,8193,8193,DB06614,Peramivir,DrugBank,drug,[H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O,DRUG_8193
8194,8194,8194,8194,8194,8194,8194,8194,DB11189,Magnesium glycinate,DrugBank,drug,[Mg++].NCC([O-])=O.NCC([O-])=O,DRUG_8194
8195,8195,8195,8195,8195,8195,8195,8195,DB00044,Lutropin alfa,DrugBank,drug,,DRUG_8195
8196,8196,8196,8196,8196,8196,8196,8196,DB12371,Siponimod,DrugBank,drug,CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F,DRUG_8196
8197,8197,8197,8197,8197,8197,8197,8197,DB11988,Ocrelizumab,DrugBank,drug,,DRUG_8197
8198,8198,8198,8198,8198,8198,8198,8198,DB11675,Mosapride,DrugBank,drug,CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1,DRUG_8198
8199,8199,8199,8199,8199,8199,8199,8199,DB04376,13-Acetylphorbol,DrugBank,drug,[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C,DRUG_8199
8200,8200,8200,8200,8200,8200,8200,8200,DB18806,Temuterkib,DrugBank,drug,CN1N=CC=C1NC1=NC=CC(=N1)C1=CC2=C(S1)C(C)(C)N(CCN1CCOCC1)C2=O,DRUG_8200
8201,8201,8201,8201,8201,8201,8201,8201,DB02952,2-aminoisobutyric acid,DrugBank,drug,CC(C)(N)C(O)=O,DRUG_8201
8202,8202,8202,8202,8202,8202,8202,8202,DB13143,Methallenestril,DrugBank,drug,CC[C@H](C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O,DRUG_8202
8203,8203,8203,8203,8203,8203,8203,8203,DB05463,ISS-1018,DrugBank,drug,,DRUG_8203
8204,8204,8204,8204,8204,8204,8204,8204,DB07127,"{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID",DrugBank,drug,CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1,DRUG_8204
8205,8205,8205,8205,8205,8205,8205,8205,DB09219,Bisoxatin,DrugBank,drug,OC1=CC=C(C=C1)C1(OC2=CC=CC=C2NC1=O)C1=CC=C(O)C=C1,DRUG_8205
8206,8206,8206,8206,8206,8206,8206,8206,DB02062,"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine",DrugBank,drug,[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O,DRUG_8206
8207,8207,8207,8207,8207,8207,8207,8207,DB06821,Sulfameter,DrugBank,drug,COC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1,DRUG_8207
8208,8208,8208,8208,8208,8208,8208,8208,DB05625,CTCE-9908,DrugBank,drug,CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(N)=O,DRUG_8208
8209,8209,8209,8209,8209,8209,8209,8209,DB02196,Uridine-Diphosphate-N-Acetylgalactosamine,DrugBank,drug,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,DRUG_8209
8210,8210,8210,8210,8210,8210,8210,8210,DB03202,"2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide",DrugBank,drug,[H][C@](NC(=O)CN1C(=O)C(NS(C)(=O)=O)=CN=C1C1=CC=C(N)C=C1)(C(C)C)C(=O)C(F)(F)F,DRUG_8210
8211,8211,8211,8211,8211,8211,8211,8211,DB15104,Telisotuzumab vedotin,DrugBank,drug,,DRUG_8211
8212,8212,8212,8212,8212,8212,8212,8212,DB00042,Botulinum toxin type B,DrugBank,drug,,DRUG_8212
8213,8213,8213,8213,8213,8213,8213,8213,DB11228,Methylcellulose,DrugBank,drug,,DRUG_8213
8214,8214,8214,8214,8214,8214,8214,8214,DB00207,Azithromycin,DrugBank,drug,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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,DRUG_8214
8215,8215,8215,8215,8215,8215,8215,8215,DB17083,Linzagolix,DrugBank,drug,COC1=C(COC2=C(OC)C=C(F)C(=C2)N2C(=O)NC3=CSC(C(O)=O)=C3C2=O)C(F)=C(F)C=C1,DRUG_8215
8216,8216,8216,8216,8216,8216,8216,8216,DB08885,Aflibercept,DrugBank,drug,,DRUG_8216
8217,8217,8217,8217,8217,8217,8217,8217,DB14052,Malacidin B,DrugBank,drug,CCC(C)CC\C=C/C=C/C(=O)N[C@@H](C(C)C(O)=O)C(=O)N[C@H]1C(C)NC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC1=O)C(C)C)C(O)C(O)=O)C(C)C(O)=O)C(C)C,DRUG_8217
8218,8218,8218,8218,8218,8218,8218,8218,DB17040,PD-169316,DrugBank,drug,[O-][N+](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1,DRUG_8218
8219,8219,8219,8219,8219,8219,8219,8219,DB00390,Digoxin,DrugBank,drug,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,DRUG_8219
8220,8220,8220,8220,8220,8220,8220,8220,DB13684,Omoconazole,DrugBank,drug,C\C(N1C=CN=C1)=C(\OCCOC1=CC=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C=C1,DRUG_8220
8221,8221,8221,8221,8221,8221,8221,8221,DB00270,Isradipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C,DRUG_8221
8222,8222,8222,8222,8222,8222,8222,8222,DB08830,Dehydroascorbic acid,DrugBank,drug,[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO,DRUG_8222
8223,8223,8223,8223,8223,8223,8223,8223,DB09310,Catridecacog,DrugBank,drug,,DRUG_8223
8224,8224,8224,8224,8224,8224,8224,8224,DB06690,Nitrous oxide,DrugBank,drug,[N-]=[N+]=O,DRUG_8224
8225,8225,8225,8225,8225,8225,8225,8225,DB00247,Methysergide,DrugBank,drug,[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO,DRUG_8225
8226,8226,8226,8226,8226,8226,8226,8226,DB07360,"1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea",DrugBank,drug,FC(F)(F)C1=CC=CC(NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2)=C1,DRUG_8226
8227,8227,8227,8227,8227,8227,8227,8227,DB04721,"N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",DrugBank,drug,CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C21,DRUG_8227
8228,8228,8228,8228,8228,8228,8228,8228,DB07495,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE",DrugBank,drug,CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O,DRUG_8228
8229,8229,8229,8229,8229,8229,8229,8229,DB12623,Taprenepag,DrugBank,drug,OC(=O)COC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=C1,DRUG_8229
8230,8230,8230,8230,8230,8230,8230,8230,DB07677,"2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one",DrugBank,drug,CC1=NC2=C(CSCC2)C(=O)N1,DRUG_8230
8231,8231,8231,8231,8231,8231,8231,8231,DB06629,Zibotentan,DrugBank,drug,COC1=NC(C)=CN=C1NS(=O)(=O)C1=CC=CN=C1C1=CC=C(C=C1)C1=NN=CO1,DRUG_8231
8232,8232,8232,8232,8232,8232,8232,8232,DB14680,Combretastatin A4,DrugBank,drug,COC1=CC=C(\C=C/C2=CC(OC)=C(OC)C(OC)=C2)C=C1O,DRUG_8232
8233,8233,8233,8233,8233,8233,8233,8233,DB05131,TTP889,DrugBank,drug,,DRUG_8233
8234,8234,8234,8234,8234,8234,8234,8234,DB07978,"2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID",DrugBank,drug,OC(=O)C1=C(C=CC1)C(=O)NC1=C(F)C(F)=C(C(F)=C1F)C1=CC(OC(F)(F)F)=CC=C1,DRUG_8234
8235,8235,8235,8235,8235,8235,8235,8235,DB07409,"(1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID",DrugBank,drug,OC(CC1=CC=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_8235
8236,8236,8236,8236,8236,8236,8236,8236,DB05109,Trabectedin,DrugBank,drug,[H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]1CC4=CC(C)=C(OC)C(O)=C4[C@H]2N1C)C1=C2OCOC2=C(C)C(OC(C)=O)=C31,DRUG_8236
8237,8237,8237,8237,8237,8237,8237,8237,DB00560,Tigecycline,DrugBank,drug,[H][C@@]12CC3=C(C(O)=C(NC(=O)CNC(C)(C)C)C=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,DRUG_8237
8238,8238,8238,8238,8238,8238,8238,8238,DB02362,Aminobenzoic acid,DrugBank,drug,NC1=CC=C(C=C1)C(O)=O,DRUG_8238
8239,8239,8239,8239,8239,8239,8239,8239,DB11684,Eprenetapopt,DrugBank,drug,COCC1(CO)N2CCC(CC2)C1=O,DRUG_8239
8240,8240,8240,8240,8240,8240,8240,8240,DB09057,Anthrax immune globulin human,DrugBank,drug,,DRUG_8240
8241,8241,8241,8241,8241,8241,8241,8241,DB12934,Granotapide,DrugBank,drug,CCOC(=O)C(COC(=O)CC1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C(=C1)C(=O)N(C)C)(C(=O)OCC)C1=CC=CC=C1,DRUG_8241
8242,8242,8242,8242,8242,8242,8242,8242,DB05399,Succinobucol,DrugBank,drug,CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,DRUG_8242
8243,8243,8243,8243,8243,8243,8243,8243,DB16162,Exicorilant,DrugBank,drug,[H][C@@]12CCN(C[C@]1(CC1=C(C2)N(N=C1)C1=CC=C(F)C=C1)C(=O)C1=CC(=CC=N1)C(F)(F)F)S(=O)(=O)C1=NN(C)N=C1,DRUG_8243
8244,8244,8244,8244,8244,8244,8244,8244,DB01810,"[1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester",DrugBank,drug,[H][C@@](C)(NC(=O)[C@@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)\C=C\C(=O)C=O,DRUG_8244
8245,8245,8245,8245,8245,8245,8245,8245,DB00986,Glycopyrronium,DrugBank,drug,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1,DRUG_8245
8246,8246,8246,8246,8246,8246,8246,8246,DB03575,Phencyclidine,DrugBank,drug,C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1,DRUG_8246
8247,8247,8247,8247,8247,8247,8247,8247,DB02757,Pyrazole,DrugBank,drug,N1C=CC=N1,DRUG_8247
8248,8248,8248,8248,8248,8248,8248,8248,DB01075,Diphenhydramine,DrugBank,drug,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8248
8249,8249,8249,8249,8249,8249,8249,8249,DB04459,"3,4-Dichloroisocoumarin",DrugBank,drug,ClC1=C(Cl)C2=CC=CC=C2C(=O)O1,DRUG_8249
8250,8250,8250,8250,8250,8250,8250,8250,DB13479,Histapyrrodine,DrugBank,drug,C(CN1CCCC1)N(CC1=CC=CC=C1)C1=CC=CC=C1,DRUG_8250
8251,8251,8251,8251,8251,8251,8251,8251,DB03657,1-deoxy-1-methoxycarbamido-beta-D-glucopyranose,DrugBank,drug,COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,DRUG_8251
8252,8252,8252,8252,8252,8252,8252,8252,DB07596,"(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate",DrugBank,drug,[H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C,DRUG_8252
8253,8253,8253,8253,8253,8253,8253,8253,DB15110,Onvansertib,DrugBank,drug,CN1CCN(CC1)C1=CC(NC2=NC=C3CCC4=C(N(CCO)N=C4C(N)=O)C3=N2)=C(OC(F)(F)F)C=C1,DRUG_8253
8254,8254,8254,8254,8254,8254,8254,8254,DB11581,Venetoclax,DrugBank,drug,CC1(C)CCC(CN2CCN(CC2)C2=CC=C(C(=O)NS(=O)(=O)C3=CC=C(NCC4CCOCC4)C(=C3)[N+]([O-])=O)C(OC3=CN=C4NC=CC4=C3)=C2)=C(C1)C1=CC=C(Cl)C=C1,DRUG_8254
8255,8255,8255,8255,8255,8255,8255,8255,DB07130,4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID,DrugBank,drug,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O,DRUG_8255
8256,8256,8256,8256,8256,8256,8256,8256,DB07105,2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide,DrugBank,drug,NC(N)=NC1=CC=C(CC(NC(=O)CSC2=CC=C(Cl)C=C2)C(N)=O)C=C1,DRUG_8256
8257,8257,8257,8257,8257,8257,8257,8257,DB00572,Atropine,DrugBank,drug,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1,DRUG_8257
8258,8258,8258,8258,8258,8258,8258,8258,DB15252,Nemolizumab,DrugBank,drug,,DRUG_8258
8259,8259,8259,8259,8259,8259,8259,8259,DB00848,Levamisole,DrugBank,drug,C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1,DRUG_8259
8260,8260,8260,8260,8260,8260,8260,8260,DB06069,XMT-1001,DrugBank,drug,,DRUG_8260
8261,8261,8261,8261,8261,8261,8261,8261,DB06240,Tariquidar,DrugBank,drug,COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=CC(OC)=C(OC)C=C4NC(=O)C4=CN=C5C=CC=CC5=C4)C=C3)CC2)C=C1OC,DRUG_8261
8262,8262,8262,8262,8262,8262,8262,8262,DB01154,Thiamylal,DrugBank,drug,CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,DRUG_8262
8263,8263,8263,8263,8263,8263,8263,8263,DB09035,Nivolumab,DrugBank,drug,,DRUG_8263
8264,8264,8264,8264,8264,8264,8264,8264,DB15593,Golodirsen,DrugBank,drug,,DRUG_8264
8265,8265,8265,8265,8265,8265,8265,8265,DB00509,Dextrothyroxine,DrugBank,drug,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,DRUG_8265
8266,8266,8266,8266,8266,8266,8266,8266,DB07946,"N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide",DrugBank,drug,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(Cl)C=CC(N([H])CC(F)(F)C2=CC=CC=C2)=C1F)N([H])[H],DRUG_8266
8267,8267,8267,8267,8267,8267,8267,8267,DB06297,LX-2931,DrugBank,drug,C\C(=N/O)C1=NC=C(N1)[C@@H](O)[C@H](O)[C@H](O)CO,DRUG_8267
8268,8268,8268,8268,8268,8268,8268,8268,DB06721,Gimatecan,DrugBank,drug,[H]\C(=N/OC(C)(C)C)C1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=CC=C12,DRUG_8268
8269,8269,8269,8269,8269,8269,8269,8269,DB12912,Nolatrexed,DrugBank,drug,CC1=CC=C2N=C(N)NC(=O)C2=C1SC1=CC=NC=C1,DRUG_8269
8270,8270,8270,8270,8270,8270,8270,8270,DB00558,Zanamivir,DrugBank,drug,[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,DRUG_8270
8271,8271,8271,8271,8271,8271,8271,8271,DB01488,Dimethyltryptamine,DrugBank,drug,CN(C)CCC1=CNC2=CC=CC=C12,DRUG_8271
8272,8272,8272,8272,8272,8272,8272,8272,DB07144,"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DrugBank,drug,[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C,DRUG_8272
8273,8273,8273,8273,8273,8273,8273,8273,DB02489,9-Methylguanine,DrugBank,drug,CN1C=NC2=C1N=C(N)NC2=O,DRUG_8273
8274,8274,8274,8274,8274,8274,8274,8274,DB11640,Amifampridine,DrugBank,drug,NC1=CC=NC=C1N,DRUG_8274
8275,8275,8275,8275,8275,8275,8275,8275,DB06176,Romidepsin,DrugBank,drug,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](NC1=O)C(C)C,DRUG_8275
8276,8276,8276,8276,8276,8276,8276,8276,DB06733,Bafilomycin A1,DrugBank,drug,CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C,DRUG_8276
8277,8277,8277,8277,8277,8277,8277,8277,DB12889,Velneperit,DrugBank,drug,CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1=NC=C(C=C1)C(F)(F)F,DRUG_8277
8278,8278,8278,8278,8278,8278,8278,8278,DB12518,Raclopride,DrugBank,drug,CCN1CCC[C@H]1CNC(=O)C1=C(O)C(Cl)=CC(Cl)=C1OC,DRUG_8278
8279,8279,8279,8279,8279,8279,8279,8279,DB07641,Decyl(dimethyl)phosphine oxide,DrugBank,drug,CCCCCCCCCCP(C)(C)=O,DRUG_8279
8280,8280,8280,8280,8280,8280,8280,8280,DB09535,Octocrylene,DrugBank,drug,CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8280
8281,8281,8281,8281,8281,8281,8281,8281,DB12452,Caprylic alcohol,DrugBank,drug,CCCCCCCCO,DRUG_8281
8282,8282,8282,8282,8282,8282,8282,8282,DB00463,Metharbital,DrugBank,drug,CCC1(CC)C(=O)NC(=O)N(C)C1=O,DRUG_8282
8283,8283,8283,8283,8283,8283,8283,8283,DB13055,Oteseconazole,DrugBank,drug,O[C@@](CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C=N1)C1=CC=C(OCC(F)(F)F)C=C1,DRUG_8283
8284,8284,8284,8284,8284,8284,8284,8284,DB04799,"6-Hydroxy-5-undecyl-4,7-benzothiazoledione",DrugBank,drug,CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O,DRUG_8284
8285,8285,8285,8285,8285,8285,8285,8285,DB06512,Deramciclane,DrugBank,drug,[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C1=CC=CC=C1,DRUG_8285
8286,8286,8286,8286,8286,8286,8286,8286,DB14507,Lithium citrate,DrugBank,drug,[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_8286
8287,8287,8287,8287,8287,8287,8287,8287,DB13915,Axicabtagene ciloleucel,DrugBank,drug,,DRUG_8287
8288,8288,8288,8288,8288,8288,8288,8288,DB11700,Setmelanotide,DrugBank,drug,[H]N([H])C(=O)[C@@H]1CSSC[C@H](N([H])C(=O)[C@H](CCCN=C(N([H])[H])N([H])[H])N([H])C(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CN=CN2[H])C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN([H])C3=CC=CC=C23)C(=O)N1,DRUG_8288
8289,8289,8289,8289,8289,8289,8289,8289,DB11386,Chlorobutanol,DrugBank,drug,CC(C)(O)C(Cl)(Cl)Cl,DRUG_8289
8290,8290,8290,8290,8290,8290,8290,8290,DB13998,Lonoctocog alfa,DrugBank,drug,,DRUG_8290
8291,8291,8291,8291,8291,8291,8291,8291,DB03719,N-Ethyl-5'-Carboxamido Adenosine,DrugBank,drug,CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N,DRUG_8291
8292,8292,8292,8292,8292,8292,8292,8292,DB13814,Talampicillin,DrugBank,drug,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OC1OC(=O)C2=CC=CC=C12,DRUG_8292
8293,8293,8293,8293,8293,8293,8293,8293,DB14018,Bromotheophylline,DrugBank,drug,CN1C2=C(NC(Br)=N2)C(=O)N(C)C1=O,DRUG_8293
8294,8294,8294,8294,8294,8294,8294,8294,DB18786,APX-3330,DrugBank,drug,CCCCCCCCC\C(=C/C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O,DRUG_8294
8295,8295,8295,8295,8295,8295,8295,8295,DB04823,Oxyphenisatin,DrugBank,drug,OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(O)C=C1,DRUG_8295
8296,8296,8296,8296,8296,8296,8296,8296,DB00958,Carboplatin,DrugBank,drug,[H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H],DRUG_8296
8297,8297,8297,8297,8297,8297,8297,8297,DB13642,Pridinol,DrugBank,drug,OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8297
8298,8298,8298,8298,8298,8298,8298,8298,DB07625,"4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide",DrugBank,drug,CCOC1=CC=C(OCC)C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)=C1,DRUG_8298
8299,8299,8299,8299,8299,8299,8299,8299,DB06659,Rostaporfin,DrugBank,drug,[Cl-].[Sn+4].CCOC(=O)C1=CC2=C3[N-]\C(=C/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N=C2C(C)=C5CC)/C(C)=C4CC)[C@@H](C)[C@]13CC,DRUG_8299
8300,8300,8300,8300,8300,8300,8300,8300,DB06797,Mebutamate,DrugBank,drug,CCC(C)C(C)(COC(N)=O)COC(N)=O,DRUG_8300
8301,8301,8301,8301,8301,8301,8301,8301,DB11712,Tezacaftor,DrugBank,drug,CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO,DRUG_8301
8302,8302,8302,8302,8302,8302,8302,8302,DB15897,Etesevimab,DrugBank,drug,,DRUG_8302
8303,8303,8303,8303,8303,8303,8303,8303,DB06652,Vicriviroc,DrugBank,drug,COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F,DRUG_8303
8304,8304,8304,8304,8304,8304,8304,8304,DB02468,12-Phenylheme,DrugBank,drug,CC1C(C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(C=C)=C8N7[Fe++]6(N34)N2C1=C8C1=CC=CC=C1)C(C)=C5CCC(O)=O,DRUG_8304
8305,8305,8305,8305,8305,8305,8305,8305,DB00971,Selenium Sulfide,DrugBank,drug,S=[Se]=S,DRUG_8305
8306,8306,8306,8306,8306,8306,8306,8306,DB09381,Esterified estrogens,DrugBank,drug,,DRUG_8306
8307,8307,8307,8307,8307,8307,8307,8307,DB02925,Piretanide,DrugBank,drug,NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O,DRUG_8307
8308,8308,8308,8308,8308,8308,8308,8308,DB12093,Tetrahydropalmatine,DrugBank,drug,COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC,DRUG_8308
8309,8309,8309,8309,8309,8309,8309,8309,DB15022,Apomab,DrugBank,drug,,DRUG_8309
8310,8310,8310,8310,8310,8310,8310,8310,DB11696,Racecadotril,DrugBank,drug,CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OCC1=CC=CC=C1,DRUG_8310
8311,8311,8311,8311,8311,8311,8311,8311,DB16404,Carvacrol,DrugBank,drug,CC(C)C1=CC(O)=C(C)C=C1,DRUG_8311
8312,8312,8312,8312,8312,8312,8312,8312,DB11587,Etafedrine,DrugBank,drug,CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1,DRUG_8312
8313,8313,8313,8313,8313,8313,8313,8313,DB15363,Istiratumab,DrugBank,drug,,DRUG_8313
8314,8314,8314,8314,8314,8314,8314,8314,DB02494,(S)-3-phenyllactic acid,DrugBank,drug,O[C@@H](CC1=CC=CC=C1)C(O)=O,DRUG_8314
8315,8315,8315,8315,8315,8315,8315,8315,DB07742,"N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE",DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F,DRUG_8315
8316,8316,8316,8316,8316,8316,8316,8316,DB09146,Iron sucrose,DrugBank,drug,O.O.O.[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Na+].[Na+].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Fe+3].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,DRUG_8316
8317,8317,8317,8317,8317,8317,8317,8317,DB00073,Rituximab,DrugBank,drug,,DRUG_8317
8318,8318,8318,8318,8318,8318,8318,8318,DB11665,BMS-690514,DrugBank,drug,COC1=CC=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](N)[C@H](O)C4)=C23)=C1,DRUG_8318
8319,8319,8319,8319,8319,8319,8319,8319,DB03286,C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide,DrugBank,drug,[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-],DRUG_8319
8320,8320,8320,8320,8320,8320,8320,8320,DB12193,Lenabasum,DrugBank,drug,[H][C@@]12CC(=CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC)C(O)=O,DRUG_8320
8321,8321,8321,8321,8321,8321,8321,8321,DB05905,TD-2749,DrugBank,drug,CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)C2=CC=CC=C12,DRUG_8321
8322,8322,8322,8322,8322,8322,8322,8322,DB03554,5-Iodouracil,DrugBank,drug,IC1=CNC(=O)NC1=O,DRUG_8322
8323,8323,8323,8323,8323,8323,8323,8323,DB08230,Tricetin,DrugBank,drug,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C(O)=C1,DRUG_8323
8324,8324,8324,8324,8324,8324,8324,8324,DB12942,Lactitol,DrugBank,drug,OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,DRUG_8324
8325,8325,8325,8325,8325,8325,8325,8325,DB04689,2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,DrugBank,drug,CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1,DRUG_8325
8326,8326,8326,8326,8326,8326,8326,8326,DB11595,Atezolizumab,DrugBank,drug,,DRUG_8326
8327,8327,8327,8327,8327,8327,8327,8327,DB12357,BMS-863233,DrugBank,drug,[H][C@]1(CCCN1)C1=NC2=C(OC3=C2C=C(Cl)C=C3)C(=O)N1,DRUG_8327
8328,8328,8328,8328,8328,8328,8328,8328,DB02393,"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate",DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,DRUG_8328
8329,8329,8329,8329,8329,8329,8329,8329,DB13456,Midecamycin,DrugBank,drug,[H][C@@]1(C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O1)O[C@@H]1[C@@H](C)O[C@@]([H])(O[C@H]2[C@@H](CC=O)C[C@@H](C)[C@@H](O)\C=C\C=C\C[C@@H](C)OC(=O)C[C@@]([H])(OC(=O)CC)[C@@H]2OC)[C@H](O)[C@H]1N(C)C,DRUG_8329
8330,8330,8330,8330,8330,8330,8330,8330,DB11571,Human thrombin,DrugBank,drug,,DRUG_8330
8331,8331,8331,8331,8331,8331,8331,8331,DB00542,Benazepril,DrugBank,drug,[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,DRUG_8331
8332,8332,8332,8332,8332,8332,8332,8332,DB09059,Atosiban,DrugBank,drug,[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O,DRUG_8332
8333,8333,8333,8333,8333,8333,8333,8333,DB08972,Flumequine,DrugBank,drug,CC1CCC2=CC(F)=CC3=C2N1C=C(C(O)=O)C3=O,DRUG_8333
8334,8334,8334,8334,8334,8334,8334,8334,DB00952,Naratriptan,DrugBank,drug,CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1,DRUG_8334
8335,8335,8335,8335,8335,8335,8335,8335,DB01562,1-(2-Phenylethyl)-4-phenyl-4-acetoxypiperidine,DrugBank,drug,CC(=O)OC1(CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_8335
8336,8336,8336,8336,8336,8336,8336,8336,DB07542,5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid,DrugBank,drug,[H]N([H])[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC(C)C)C(O)=O,DRUG_8336
8337,8337,8337,8337,8337,8337,8337,8337,DB11613,Velpatasvir,DrugBank,drug,COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1)C1=NC=C(N1)C1=CC=C2C(COC3=CC4=C(C=CC5=C4NC(=N5)[C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C23)=C1,DRUG_8337
8338,8338,8338,8338,8338,8338,8338,8338,DB06624,Taranabant,DrugBank,drug,C[C@H](NC(=O)C(C)(C)OC1=CC=C(C=N1)C(F)(F)F)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC=CC(=C1)C#N,DRUG_8338
8339,8339,8339,8339,8339,8339,8339,8339,DB03691,WRR-112,DrugBank,drug,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,DRUG_8339
8340,8340,8340,8340,8340,8340,8340,8340,DB02216,S-Methylcysteine,DrugBank,drug,CSC[C@H](N)C(O)=O,DRUG_8340
8341,8341,8341,8341,8341,8341,8341,8341,DB06467,Apolizumab,DrugBank,drug,,DRUG_8341
8342,8342,8342,8342,8342,8342,8342,8342,DB13958,Trestolone acetate,DrugBank,drug,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],DRUG_8342
8343,8343,8343,8343,8343,8343,8343,8343,DB02236,Glycinamide Ribonucleotide,DrugBank,drug,NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,DRUG_8343
8344,8344,8344,8344,8344,8344,8344,8344,DB12941,Darolutamide,DrugBank,drug,C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O,DRUG_8344
8345,8345,8345,8345,8345,8345,8345,8345,DB01353,Butobarbital,DrugBank,drug,CCCCC1(CC)C(=O)NC(=O)NC1=O,DRUG_8345
8346,8346,8346,8346,8346,8346,8346,8346,DB04835,Maraviroc,DrugBank,drug,CC(C)C1=NN=C(C)N1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1,DRUG_8346
8347,8347,8347,8347,8347,8347,8347,8347,DB13334,Mannosulfan,DrugBank,drug,CS(=O)(=O)OC[C@@H](OS(C)(=O)=O)[C@@H](O)[C@H](O)[C@@H](COS(C)(=O)=O)OS(C)(=O)=O,DRUG_8347
8348,8348,8348,8348,8348,8348,8348,8348,DB05796,Daglutril,DrugBank,drug,CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O,DRUG_8348
8349,8349,8349,8349,8349,8349,8349,8349,DB00683,Midazolam,DrugBank,drug,CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,DRUG_8349
8350,8350,8350,8350,8350,8350,8350,8350,DB08974,Flubendazole,DrugBank,drug,COC(=O)NC1=NC2=C(N1)C=CC(=C2)C(=O)C1=CC=C(F)C=C1,DRUG_8350
8351,8351,8351,8351,8351,8351,8351,8351,DB06098,PRLX 93936,DrugBank,drug,,DRUG_8351
8352,8352,8352,8352,8352,8352,8352,8352,DB15646,Fasitibant,DrugBank,drug,CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCOCC2)C(=O)N2CCN(CC2)C(=O)[C@@H](N)CCC[N+](C)(C)C)C(C)=C1,DRUG_8352
8353,8353,8353,8353,8353,8353,8353,8353,DB01218,Halofantrine,DrugBank,drug,CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F,DRUG_8353
8354,8354,8354,8354,8354,8354,8354,8354,DB06959,(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine,DrugBank,drug,[H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12,DRUG_8354
8355,8355,8355,8355,8355,8355,8355,8355,DB00649,Stavudine,DrugBank,drug,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O,DRUG_8355
8356,8356,8356,8356,8356,8356,8356,8356,DB09341,"Dextrose, unspecified form",DrugBank,drug,,DRUG_8356
8357,8357,8357,8357,8357,8357,8357,8357,DB00555,Lamotrigine,DrugBank,drug,NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1,DRUG_8357
8358,8358,8358,8358,8358,8358,8358,8358,DB02386,Leucine Phosphonic Acid,DrugBank,drug,CC(C)C[C@H](N)P(O)(O)=O,DRUG_8358
8359,8359,8359,8359,8359,8359,8359,8359,DB14867,Parsaclisib,DrugBank,drug,CCOC1=C(C=C(Cl)C(F)=C1[C@@H]1CNC(=O)C1)[C@H](C)N1N=C(C)C2=C1N=CN=C2N,DRUG_8359
8360,8360,8360,8360,8360,8360,8360,8360,DB02918,Zardaverine,DrugBank,drug,COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1,DRUG_8360
8361,8361,8361,8361,8361,8361,8361,8361,DB11098,Potassium bicarbonate,DrugBank,drug,[K+].OC([O-])=O,DRUG_8361
8362,8362,8362,8362,8362,8362,8362,8362,DB12264,Atevirdine,DrugBank,drug,CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1,DRUG_8362
8363,8363,8363,8363,8363,8363,8363,8363,DB12308,Eltanolone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,DRUG_8363
8364,8364,8364,8364,8364,8364,8364,8364,DB07525,"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine",DrugBank,drug,COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1,DRUG_8364
8365,8365,8365,8365,8365,8365,8365,8365,DB05915,Stamulumab,DrugBank,drug,,DRUG_8365
8366,8366,8366,8366,8366,8366,8366,8366,DB04209,Dequalinium,DrugBank,drug,CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2,DRUG_8366
8367,8367,8367,8367,8367,8367,8367,8367,DB00183,Pentagastrin,DrugBank,drug,CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,DRUG_8367
8368,8368,8368,8368,8368,8368,8368,8368,DB02267,Argininosuccinate,DrugBank,drug,N[C@@H](CCC\N=C(/N)N[C@H](CC(O)=O)C(O)=O)C(O)=O,DRUG_8368
8369,8369,8369,8369,8369,8369,8369,8369,DB01889,"16,17-Androstene-3-Ol",DrugBank,drug,[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C,DRUG_8369
8370,8370,8370,8370,8370,8370,8370,8370,DB03366,Imidazole,DrugBank,drug,N1C=CN=C1,DRUG_8370
8371,8371,8371,8371,8371,8371,8371,8371,DB18296,AB-22,DrugBank,drug,CCCOC1=CC(NC(=O)NN(CCO)C2=CC(C(C)C)=C3C(C)=NN(C)C3=N2)=CC(Cl)=N1,DRUG_8371
8372,8372,8372,8372,8372,8372,8372,8372,DB07094,"1-(2,2'-bithiophen-5-yl)methanamine",DrugBank,drug,NCC1=CC=C(S1)C1=CC=CS1,DRUG_8372
8373,8373,8373,8373,8373,8373,8373,8373,DB11081,Aluminum chloride,DrugBank,drug,Cl[Al](Cl)Cl,DRUG_8373
8374,8374,8374,8374,8374,8374,8374,8374,DB03155,2'-fluoro-2'-deoxyuridine 3'-monophosphate,DrugBank,drug,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@]2([H])F)C1=O,DRUG_8374
8375,8375,8375,8375,8375,8375,8375,8375,DB09096,Benzoyl peroxide,DrugBank,drug,O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8375
8376,8376,8376,8376,8376,8376,8376,8376,DB16987,Soticlestat,DrugBank,drug,OC1(CC2=CC=CC=C2)CCN(CC1)C(=O)C1=CC=CN=C1C1=CC=NC=C1,DRUG_8376
8377,8377,8377,8377,8377,8377,8377,8377,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",DrugBank,drug,[H][C@@]1(CC2=C(C=CC=C2)N(CC(=O)NCCO)C1=O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,DRUG_8377
8378,8378,8378,8378,8378,8378,8378,8378,DB15171,Tirzepatide,DrugBank,drug,,DRUG_8378
8379,8379,8379,8379,8379,8379,8379,8379,DB08139,"5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile",DrugBank,drug,CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N,DRUG_8379
8380,8380,8380,8380,8380,8380,8380,8380,DB14174,Dipentamethylenethiuram disulfide,DrugBank,drug,S=C(SSC(=S)N1CCCCC1)N1CCCCC1,DRUG_8380
8381,8381,8381,8381,8381,8381,8381,8381,DB05403,CEP-1347,DrugBank,drug,[H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13,DRUG_8381
8382,8382,8382,8382,8382,8382,8382,8382,DB01038,Carphenazine,DrugBank,drug,CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,DRUG_8382
8383,8383,8383,8383,8383,8383,8383,8383,DB13223,Fluocortin,DrugBank,drug,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@H]1C(=O)C(O)=O,DRUG_8383
8384,8384,8384,8384,8384,8384,8384,8384,DB08392,"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL",DrugBank,drug,COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1,DRUG_8384
8385,8385,8385,8385,8385,8385,8385,8385,DB01080,Vigabatrin,DrugBank,drug,NC(CCC(O)=O)C=C,DRUG_8385
8386,8386,8386,8386,8386,8386,8386,8386,DB08465,"2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE",DrugBank,drug,COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC,DRUG_8386
8387,8387,8387,8387,8387,8387,8387,8387,DB02546,Vorinostat,DrugBank,drug,ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1,DRUG_8387
8388,8388,8388,8388,8388,8388,8388,8388,DB18236,(R)-9b,DrugBank,drug,,DRUG_8388
8389,8389,8389,8389,8389,8389,8389,8389,DB00320,Dihydroergotamine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O,DRUG_8389
8390,8390,8390,8390,8390,8390,8390,8390,DB04690,Camptothecin,DrugBank,drug,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O,DRUG_8390
8391,8391,8391,8391,8391,8391,8391,8391,DB07160,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE",DrugBank,drug,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O,DRUG_8391
8392,8392,8392,8392,8392,8392,8392,8392,DB00045,Lyme disease vaccine (recombinant OspA),DrugBank,drug,,DRUG_8392
8393,8393,8393,8393,8393,8393,8393,8393,DB08289,N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE,DrugBank,drug,OC(=O)CCCC(=O)NC1=CC=C(CC[N+]2([O-])CCCCC2)C=C1,DRUG_8393
8394,8394,8394,8394,8394,8394,8394,8394,DB11623,Candoxatrilat,DrugBank,drug,COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O,DRUG_8394
8395,8395,8395,8395,8395,8395,8395,8395,DB13545,Isobromindione,DrugBank,drug,BrC1=CC=C2C(=O)C(C(=O)C2=C1)C1=CC=CC=C1,DRUG_8395
8396,8396,8396,8396,8396,8396,8396,8396,DB16393,Cilgavimab,DrugBank,drug,,DRUG_8396
8397,8397,8397,8397,8397,8397,8397,8397,DB07250,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE",DrugBank,drug,COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC,DRUG_8397
8398,8398,8398,8398,8398,8398,8398,8398,DB16064,LY-3200882,DrugBank,drug,CC(C)(O)C1=CC(NC2=CC(OC3=CN(N=C3C3CCOCC3)C3CC3)=CC=N2)=CC=N1,DRUG_8398
8399,8399,8399,8399,8399,8399,8399,8399,DB12834,Secnidazole,DrugBank,drug,CC(O)CN1C(C)=NC=C1N(=O)=O,DRUG_8399
8400,8400,8400,8400,8400,8400,8400,8400,DB04590,(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID,DrugBank,drug,CCOC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C(O)=O)=C(F)C(O[C@@H]2CCOC2)=C1,DRUG_8400
8401,8401,8401,8401,8401,8401,8401,8401,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",DrugBank,drug,O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1,DRUG_8401
8402,8402,8402,8402,8402,8402,8402,8402,DB13874,Enasidenib,DrugBank,drug,CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F,DRUG_8402
8403,8403,8403,8403,8403,8403,8403,8403,DB15091,Upadacitinib,DrugBank,drug,CC[C@@H]1CN(C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12)C(=O)NCC(F)(F)F,DRUG_8403
8404,8404,8404,8404,8404,8404,8404,8404,DB07070,(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid,DrugBank,drug,[H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O,DRUG_8404
8405,8405,8405,8405,8405,8405,8405,8405,DB08234,"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",DrugBank,drug,CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC,DRUG_8405
8406,8406,8406,8406,8406,8406,8406,8406,DB04326,Dihydroxyacetone phosphate,DrugBank,drug,OCC(=O)COP(O)(O)=O,DRUG_8406
8407,8407,8407,8407,8407,8407,8407,8407,DB02239,Laevulinic Acid,DrugBank,drug,CC(=O)CCC(O)=O,DRUG_8407
8408,8408,8408,8408,8408,8408,8408,8408,DB00945,Acetylsalicylic acid,DrugBank,drug,CC(=O)OC1=CC=CC=C1C(O)=O,DRUG_8408
8409,8409,8409,8409,8409,8409,8409,8409,DB00508,Triflupromazine,DrugBank,drug,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,DRUG_8409
8410,8410,8410,8410,8410,8410,8410,8410,DB02020,Alrestatin,DrugBank,drug,OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23,DRUG_8410
8411,8411,8411,8411,8411,8411,8411,8411,DB01170,Guanethidine,DrugBank,drug,NC(N)=NCCN1CCCCCCC1,DRUG_8411
8412,8412,8412,8412,8412,8412,8412,8412,DB05714,Flovagatran,DrugBank,drug,COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B(O)O,DRUG_8412
8413,8413,8413,8413,8413,8413,8413,8413,DB04854,Febuxostat,DrugBank,drug,CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N,DRUG_8413
8414,8414,8414,8414,8414,8414,8414,8414,DB15227,Tirabrutinib,DrugBank,drug,CC#CC(=O)N1CC[C@H](C1)N1C(=O)N(C2=C(N)N=CN=C12)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_8414
8415,8415,8415,8415,8415,8415,8415,8415,DB04012,"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine",DrugBank,drug,[H][C@@](CC(C)C)(NC(=O)[C@]1([H])CSCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,DRUG_8415
8416,8416,8416,8416,8416,8416,8416,8416,DB11629,Laropiprant,DrugBank,drug,CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C3=C(CC[C@@H]3CC(O)=O)C2=CC(F)=C1,DRUG_8416
8417,8417,8417,8417,8417,8417,8417,8417,DB08901,Ponatinib,DrugBank,drug,CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1,DRUG_8417
8418,8418,8418,8418,8418,8418,8418,8418,DB01136,Carvedilol,DrugBank,drug,COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,DRUG_8418
8419,8419,8419,8419,8419,8419,8419,8419,DB09559,Necitumumab,DrugBank,drug,,DRUG_8419
8420,8420,8420,8420,8420,8420,8420,8420,DB05327,Ranirestat,DrugBank,drug,FC1=C(CN2C(=O)C3=CC=CN3[C@@]3(CC(=O)NC3=O)C2=O)C=CC(Br)=C1,DRUG_8420
8421,8421,8421,8421,8421,8421,8421,8421,DB12904,ZSTK-474,DrugBank,drug,FC(F)C1=NC2=CC=CC=C2N1C1=NC(=NC(=N1)N1CCOCC1)N1CCOCC1,DRUG_8421
8422,8422,8422,8422,8422,8422,8422,8422,DB01521,Clostebol,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(Cl)C(=O)CC[C@]12C,DRUG_8422
8423,8423,8423,8423,8423,8423,8423,8423,DB00845,Clofazimine,DrugBank,drug,CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1,DRUG_8423
8424,8424,8424,8424,8424,8424,8424,8424,DB05449,FM-VP4,DrugBank,drug,,DRUG_8424
8425,8425,8425,8425,8425,8425,8425,8425,DB01072,Atazanavir,DrugBank,drug,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,DRUG_8425
8426,8426,8426,8426,8426,8426,8426,8426,DB02115,Daidzin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_8426
8427,8427,8427,8427,8427,8427,8427,8427,DB04658,Calystegine B2,DrugBank,drug,[H][C@]12CC[C@](O)(N1)[C@@H](O)[C@H](O)[C@H]2O,DRUG_8427
8428,8428,8428,8428,8428,8428,8428,8428,DB07307,N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide,DrugBank,drug,CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1,DRUG_8428
8429,8429,8429,8429,8429,8429,8429,8429,DB11093,Calcium citrate,DrugBank,drug,[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,DRUG_8429
8430,8430,8430,8430,8430,8430,8430,8430,DB02635,N-[O-Phosphono-Pyridoxyl]-Isoleucine,DrugBank,drug,[H][C@](C)(CC)[C@@]([H])(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,DRUG_8430
8431,8431,8431,8431,8431,8431,8431,8431,DB02835,"Alpha-D-Glucose 1,6-Bisphosphate",DrugBank,drug,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O,DRUG_8431
8432,8432,8432,8432,8432,8432,8432,8432,DB07524,"N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine",DrugBank,drug,N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1,DRUG_8432
8433,8433,8433,8433,8433,8433,8433,8433,DB09335,Alatrofloxacin,DrugBank,drug,[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O,DRUG_8433
8434,8434,8434,8434,8434,8434,8434,8434,DB13638,Cefbuperazone,DrugBank,drug,CCN1CCN(C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@]2(OC)[C@H]3SCC(CSC4=NN=NN4C)=C(N3C2=O)C(O)=O)C(=O)C1=O,DRUG_8434
8435,8435,8435,8435,8435,8435,8435,8435,DB06234,Maribavir,DrugBank,drug,CC(C)NC1=NC2=CC(Cl)=C(Cl)C=C2N1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,DRUG_8435
8436,8436,8436,8436,8436,8436,8436,8436,DB08334,3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,DrugBank,drug,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1F,DRUG_8436
8437,8437,8437,8437,8437,8437,8437,8437,DB00251,Terconazole,DrugBank,drug,CC(C)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,DRUG_8437
8438,8438,8438,8438,8438,8438,8438,8438,DB01736,[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium,DrugBank,drug,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],DRUG_8438
8439,8439,8439,8439,8439,8439,8439,8439,DB13997,Baloxavir marboxil,DrugBank,drug,[H][C@@]12COCCN1C(=O)C1=C(OCOC(=O)OC)C(=O)C=CN1N2[C@H]1C2=CC=C(F)C(F)=C2CSC2=CC=CC=C12,DRUG_8439
8440,8440,8440,8440,8440,8440,8440,8440,DB11944,Ingavirin,DrugBank,drug,OC(=O)CCCC(=O)NCCC1=CNC=N1,DRUG_8440
8441,8441,8441,8441,8441,8441,8441,8441,DB01323,St. John's Wort,DrugBank,drug,,DRUG_8441
8442,8442,8442,8442,8442,8442,8442,8442,DB09345,Pramocaine,DrugBank,drug,CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1,DRUG_8442
8443,8443,8443,8443,8443,8443,8443,8443,DB08605,"6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL",DrugBank,drug,CCCS(=O)(=O)N1N=CC2=C(C=C(C)S2)B1O,DRUG_8443
8444,8444,8444,8444,8444,8444,8444,8444,DB00806,Pentoxifylline,DrugBank,drug,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,DRUG_8444
8445,8445,8445,8445,8445,8445,8445,8445,DB07863,2-chloro-5-nitro-N-phenylbenzamide,DrugBank,drug,[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1,DRUG_8445
8446,8446,8446,8446,8446,8446,8446,8446,DB03677,N-Cyclohexyl-N'-Decylurea,DrugBank,drug,CCCCCCCCCCNC(=O)NC1CCCCC1,DRUG_8446
8447,8447,8447,8447,8447,8447,8447,8447,DB08875,Cabozantinib,DrugBank,drug,COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2,DRUG_8447
8448,8448,8448,8448,8448,8448,8448,8448,DB12763,MK-1496,DrugBank,drug,C[C@H](N)C1=CC=C(C=C1)[C@H](O)CNC(C)(C)C,DRUG_8448
8449,8449,8449,8449,8449,8449,8449,8449,DB09322,Zinc sulfate,DrugBank,drug,[Zn++].[O-]S([O-])(=O)=O,DRUG_8449
8450,8450,8450,8450,8450,8450,8450,8450,DB07053,2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,DrugBank,drug,CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F,DRUG_8450
8451,8451,8451,8451,8451,8451,8451,8451,DB05885,Seletracetam,DrugBank,drug,CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O,DRUG_8451
8452,8452,8452,8452,8452,8452,8452,8452,DB17046,PI-103,DrugBank,drug,OC1=CC=CC(=C1)C1=NC(N2CCOCC2)=C2OC3=NC=CC=C3C2=N1,DRUG_8452
8453,8453,8453,8453,8453,8453,8453,8453,DB00391,Sulpiride,DrugBank,drug,CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O,DRUG_8453
8454,8454,8454,8454,8454,8454,8454,8454,DB07643,"5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",DrugBank,drug,NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2,DRUG_8454
8455,8455,8455,8455,8455,8455,8455,8455,DB11463,Sulfanitran,DrugBank,drug,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)[N+]([O-])=O,DRUG_8455
8456,8456,8456,8456,8456,8456,8456,8456,DB03701,Vanoxerine,DrugBank,drug,FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,DRUG_8456
8457,8457,8457,8457,8457,8457,8457,8457,DB12921,Chlorsulfaquinoxaline,DrugBank,drug,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC2=CC=CC(Cl)=C2N=C1,DRUG_8457
8458,8458,8458,8458,8458,8458,8458,8458,DB19058,Iclepertin,DrugBank,drug,[H][C@@]12C[C@@]1(CN(C2)C(=O)C1=CC(=CC=C1O[C@H](C)C(F)(F)F)S(C)(=O)=O)C1=NOC(=C1)C(F)(F)F,DRUG_8458
8459,8459,8459,8459,8459,8459,8459,8459,DB00145,Glycine,DrugBank,drug,NCC(O)=O,DRUG_8459
8460,8460,8460,8460,8460,8460,8460,8460,DB01741,CRA_17693,DrugBank,drug,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(=C1[O-])C1=C(F)C=CC=C1)[C@@H](CC([O-])=O)C([O-])=O,DRUG_8460
8461,8461,8461,8461,8461,8461,8461,8461,DB07708,3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,DrugBank,drug,OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl,DRUG_8461
8462,8462,8462,8462,8462,8462,8462,8462,DB06503,MLN2222,DrugBank,drug,,DRUG_8462
8463,8463,8463,8463,8463,8463,8463,8463,DB00313,Valproic acid,DrugBank,drug,CCCC(CCC)C(O)=O,DRUG_8463
8464,8464,8464,8464,8464,8464,8464,8464,DB00441,Gemcitabine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,DRUG_8464
8465,8465,8465,8465,8465,8465,8465,8465,DB12664,Indantadol,DrugBank,drug,NC(=O)CNC1CC2=CC=CC=C2C1,DRUG_8465
8466,8466,8466,8466,8466,8466,8466,8466,DB08321,"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol",DrugBank,drug,[H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O,DRUG_8466
8467,8467,8467,8467,8467,8467,8467,8467,DB04964,Oregovomab,DrugBank,drug,,DRUG_8467
8468,8468,8468,8468,8468,8468,8468,8468,DB07986,[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID,DrugBank,drug,OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1,DRUG_8468
8469,8469,8469,8469,8469,8469,8469,8469,DB04723,2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID,DrugBank,drug,NC(N)=NC1=CC=CC(=C1)[C@@H](CS)C(O)=O,DRUG_8469
8470,8470,8470,8470,8470,8470,8470,8470,DB04469,"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DrugBank,drug,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1,DRUG_8470
8471,8471,8471,8471,8471,8471,8471,8471,DB04410,3-Phenylpropylamine,DrugBank,drug,NCCCC1=CC=CC=C1,DRUG_8471
8472,8472,8472,8472,8472,8472,8472,8472,DB02342,2-Methoxyestradiol,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,DRUG_8472
8473,8473,8473,8473,8473,8473,8473,8473,DB01776,M-Cresol,DrugBank,drug,CC1=CC=CC(O)=C1,DRUG_8473
8474,8474,8474,8474,8474,8474,8474,8474,DB06334,Tucidinostat,DrugBank,drug,NC1=CC(F)=CC=C1NC(=O)C1=CC=C(CNC(=O)\C=C\C2=CN=CC=C2)C=C1,DRUG_8474
8475,8475,8475,8475,8475,8475,8475,8475,DB14877,Lintuzumab,DrugBank,drug,,DRUG_8475
8476,8476,8476,8476,8476,8476,8476,8476,DB03175,Propyl alcohol,DrugBank,drug,CCCO,DRUG_8476
8477,8477,8477,8477,8477,8477,8477,8477,DB01392,Yohimbine,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,DRUG_8477
8478,8478,8478,8478,8478,8478,8478,8478,DB06145,Spiramycin,DrugBank,drug,[H][C@@]1(CC[C@@H]([C@@H](C)O1)N(C)C)O[C@H]1\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O[C@@]3([H])C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@H]1C,DRUG_8478
8479,8479,8479,8479,8479,8479,8479,8479,DB00114,Pyridoxal phosphate,DrugBank,drug,CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O,DRUG_8479
8480,8480,8480,8480,8480,8480,8480,8480,DB08568,A-674563,DrugBank,drug,CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1,DRUG_8480
8481,8481,8481,8481,8481,8481,8481,8481,DB00017,Salmon calcitonin,DrugBank,drug,,DRUG_8481
8482,8482,8482,8482,8482,8482,8482,8482,DB12013,Axelopran,DrugBank,drug,NC(=O)C1=CC=CC(=C1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO,DRUG_8482
8483,8483,8483,8483,8483,8483,8483,8483,DB05879,AME-527,DrugBank,drug,,DRUG_8483
8484,8484,8484,8484,8484,8484,8484,8484,DB02329,Carbenoxolone,DrugBank,drug,[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O,DRUG_8484
8485,8485,8485,8485,8485,8485,8485,8485,DB11234,Poliglusam,DrugBank,drug,,DRUG_8485
8486,8486,8486,8486,8486,8486,8486,8486,DB15397,GMA-161,DrugBank,drug,,DRUG_8486
8487,8487,8487,8487,8487,8487,8487,8487,DB07456,"3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione",DrugBank,drug,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12,DRUG_8487
8488,8488,8488,8488,8488,8488,8488,8488,DB12154,Itacitinib,DrugBank,drug,FC1=C(N=CC=C1C(=O)N1CCC(CC1)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1)C(F)(F)F,DRUG_8488
8489,8489,8489,8489,8489,8489,8489,8489,DB08228,"5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",DrugBank,drug,COC1=C2N(C)C(=O)C=C(C)C2=C(OC)C=C1,DRUG_8489
8490,8490,8490,8490,8490,8490,8490,8490,DB08354,"2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DrugBank,drug,ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1,DRUG_8490
8491,8491,8491,8491,8491,8491,8491,8491,DB13705,Decamethoxine,DrugBank,drug,[Cl-].[Cl-].CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,DRUG_8491
8492,8492,8492,8492,8492,8492,8492,8492,DB03856,L-Eflornithine,DrugBank,drug,NCCC[C@@](N)(C(F)F)C(O)=O,DRUG_8492
8493,8493,8493,8493,8493,8493,8493,8493,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",DrugBank,drug,[H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O,DRUG_8493
8494,8494,8494,8494,8494,8494,8494,8494,DB11646,Conatumumab,DrugBank,drug,,DRUG_8494
8495,8495,8495,8495,8495,8495,8495,8495,DB13135,AGN-201904,DrugBank,drug,COC1=CC2=C(C=C1)N(C(=N2)S(=O)CC1=NC=C(C)C(OC)=C1C)S(=O)(=O)C1=CC=C(OCC(O)=O)C=C1,DRUG_8495
8496,8496,8496,8496,8496,8496,8496,8496,DB06179,Darinaparsin,DrugBank,drug,C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,DRUG_8496
8497,8497,8497,8497,8497,8497,8497,8497,DB07909,"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL",DrugBank,drug,[H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1,DRUG_8497
8498,8498,8498,8498,8498,8498,8498,8498,DB12017,Ozagrel,DrugBank,drug,OC(=O)\C=C\C1=CC=C(CN2C=CN=C2)C=C1,DRUG_8498
8499,8499,8499,8499,8499,8499,8499,8499,DB00851,Dacarbazine,DrugBank,drug,CN(C)\N=N\C1=C(N=CN1)C(N)=O,DRUG_8499
8500,8500,8500,8500,8500,8500,8500,8500,DB14803,AMY-101,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN(C)C3=C2C=CC=C3)NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(N)=O,DRUG_8500
8501,8501,8501,8501,8501,8501,8501,8501,DB02391,"2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One",DrugBank,drug,NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1,DRUG_8501
8502,8502,8502,8502,8502,8502,8502,8502,DB04100,"Tricarbonyl(1,10-phenanthroline)rhenium(1+)",DrugBank,drug,,DRUG_8502
8503,8503,8503,8503,8503,8503,8503,8503,DB05084,Abaloparatide,DrugBank,drug,,DRUG_8503
8504,8504,8504,8504,8504,8504,8504,8504,DB07519,"(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",DrugBank,drug,COC1=CC(=CC=C1)C1=CC(CC[C@]2(C)CC(=O)N(C)C(N)=N2)=CC=C1,DRUG_8504
8505,8505,8505,8505,8505,8505,8505,8505,DB11656,Rebamipide,DrugBank,drug,OC(=O)C(CC1=CC(=O)NC2=C1C=CC=C2)NC(=O)C1=CC=C(Cl)C=C1,DRUG_8505
8506,8506,8506,8506,8506,8506,8506,8506,DB07129,"(2R)-1-(2,6-dimethylphenoxy)propan-2-amine",DrugBank,drug,[H][C@](C)(N)COC1=C(C)C=CC=C1C,DRUG_8506
8507,8507,8507,8507,8507,8507,8507,8507,DB02234,S-Ethylisothiourea,DrugBank,drug,CCSC(N)=N,DRUG_8507
8508,8508,8508,8508,8508,8508,8508,8508,DB08823,Spinosad,DrugBank,drug,[H][C@]1(C[C@@]2([H])C=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC.[H][C@]1(C[C@@]2([H])C(C)=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCC[C@]([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC,DRUG_8508
8509,8509,8509,8509,8509,8509,8509,8509,DB08126,"3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole",DrugBank,drug,NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1,DRUG_8509
8510,8510,8510,8510,8510,8510,8510,8510,DB09092,Xanthinol,DrugBank,drug,CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,DRUG_8510
8511,8511,8511,8511,8511,8511,8511,8511,DB13045,Racotumomab,DrugBank,drug,,DRUG_8511
8512,8512,8512,8512,8512,8512,8512,8512,DB08391,PQ-10,DrugBank,drug,COC1=CC2=NC=NC(N3CC[C@H](C3)OC3=NC4=CC=CC=C4N=C3)=C2C=C1OC,DRUG_8512
8513,8513,8513,8513,8513,8513,8513,8513,DB02656,LY-294002,DrugBank,drug,O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1,DRUG_8513
8514,8514,8514,8514,8514,8514,8514,8514,DB18054,Lisaftoclax,DrugBank,drug,[O-][N+](=O)C1=CC(=CC=C1NC[C@H]1COCCO1)S(=O)(=O)NC(=O)C1=CC=C(C=C1OC1=CN=C2NC=CC2=C1)N1CCN(CC2=C(CC3(CCC3)CC2)C2=CC=C(Cl)C=C2)CC1,DRUG_8514
8515,8515,8515,8515,8515,8515,8515,8515,DB10489,Elymus repens pollen,DrugBank,drug,,DRUG_8515
8516,8516,8516,8516,8516,8516,8516,8516,DB16732,Tisotumab vedotin,DrugBank,drug,,DRUG_8516
8517,8517,8517,8517,8517,8517,8517,8517,DB06813,Pralatrexate,DrugBank,drug,NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1,DRUG_8517
8518,8518,8518,8518,8518,8518,8518,8518,DB09036,Siltuximab,DrugBank,drug,,DRUG_8518
8519,8519,8519,8519,8519,8519,8519,8519,DB12303,Motolimod,DrugBank,drug,CCCN(CCC)C(=O)C1=CC2=CC=C(C=C2N=C(N)C1)C1=CC=C(C=C1)C(=O)N1CCCC1,DRUG_8519
8520,8520,8520,8520,8520,8520,8520,8520,DB11182,Rose bengal,DrugBank,drug,OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C1=C2C=C(I)C(=O)C(I)=C2OC2=C(I)C(O)=C(I)C=C12,DRUG_8520
8521,8521,8521,8521,8521,8521,8521,8521,DB01989,Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate,DrugBank,drug,[H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1,DRUG_8521
8522,8522,8522,8522,8522,8522,8522,8522,DB11064,Homosalate,DrugBank,drug,CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1,DRUG_8522
8523,8523,8523,8523,8523,8523,8523,8523,DB07015,"(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine",DrugBank,drug,[H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1,DRUG_8523
8524,8524,8524,8524,8524,8524,8524,8524,DB17060,U-0126,DrugBank,drug,N\C(SC1=CC=CC=C1N)=C(\C#N)/C(/C#N)=C(\N)SC1=C(N)C=CC=C1,DRUG_8524
8525,8525,8525,8525,8525,8525,8525,8525,DB12709,Tributyrin,DrugBank,drug,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,DRUG_8525
8526,8526,8526,8526,8526,8526,8526,8526,DB03756,Doconexent,DrugBank,drug,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,DRUG_8526
8527,8527,8527,8527,8527,8527,8527,8527,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",DrugBank,drug,CC1=C[NH+]=C(NCC(F)(F)C2=[NH+]C=CC=C2)C(=O)N1CC(=O)NCC1=C(F)C(C)=CC=N1,DRUG_8527
8528,8528,8528,8528,8528,8528,8528,8528,DB09043,Albiglutide,DrugBank,drug,,DRUG_8528
8529,8529,8529,8529,8529,8529,8529,8529,DB00253,Medrysone,DrugBank,drug,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,DRUG_8529
8530,8530,8530,8530,8530,8530,8530,8530,DB01602,Bacampicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC,DRUG_8530
8531,8531,8531,8531,8531,8531,8531,8531,DB08232,"[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid",DrugBank,drug,NC1=CC=C2NC(=CC2=N1)C1=CC(CC(O)=O)=CC(=C1O)C1=CC=CC(=C1)[N+]([O-])=O,DRUG_8531
8532,8532,8532,8532,8532,8532,8532,8532,DB01627,Lincomycin,DrugBank,drug,[H][C@]1(C[C@@H](CCC)CN1C)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,DRUG_8532
8533,8533,8533,8533,8533,8533,8533,8533,DB12645,Givinostat,DrugBank,drug,CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1,DRUG_8533
8534,8534,8534,8534,8534,8534,8534,8534,DB09564,Insulin degludec,DrugBank,drug,,DRUG_8534
8535,8535,8535,8535,8535,8535,8535,8535,DB12806,GSK-1004723,DrugBank,drug,ClC1=CC=C(CC2=NN(C[C@H]3CCCN3CCCCC3=CC=C(OCCCN4CCCCCC4)C=C3)C(=O)C3=CC=CC=C23)C=C1,DRUG_8535
8536,8536,8536,8536,8536,8536,8536,8536,DB00194,Vidarabine,DrugBank,drug,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,DRUG_8536
8537,8537,8537,8537,8537,8537,8537,8537,DB16315,Rivenprost,DrugBank,drug,COCC1=CC=CC(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)=C1,DRUG_8537
8538,8538,8538,8538,8538,8538,8538,8538,DB04881,Elacridar,DrugBank,drug,COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O,DRUG_8538
8539,8539,8539,8539,8539,8539,8539,8539,DB09102,Daclatasvir,DrugBank,drug,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C,DRUG_8539
8540,8540,8540,8540,8540,8540,8540,8540,DB15317,Posiphen,DrugBank,drug,CN1CC[C@@]2(C)[C@@H]1N(C)C1=CC=C(OC(=O)NC3=CC=CC=C3)C=C21,DRUG_8540
8541,8541,8541,8541,8541,8541,8541,8541,DB13505,Emepronium,DrugBank,drug,CC[N+](C)(C)C(C)CC(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8541
8542,8542,8542,8542,8542,8542,8542,8542,DB01555,Alphacetylmethadol,DrugBank,drug,CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8542
8543,8543,8543,8543,8543,8543,8543,8543,DB02583,"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine",DrugBank,drug,COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,DRUG_8543
8544,8544,8544,8544,8544,8544,8544,8544,DB07201,(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid,DrugBank,drug,[H][C@](C)(CON=C1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O,DRUG_8544
8545,8545,8545,8545,8545,8545,8545,8545,DB05697,Trabedersen,DrugBank,drug,,DRUG_8545
8546,8546,8546,8546,8546,8546,8546,8546,DB14711,"Smallpox (Vaccinia) Vaccine, Live",DrugBank,drug,,DRUG_8546
8547,8547,8547,8547,8547,8547,8547,8547,DB13710,Metenolone,DrugBank,drug,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)C=C(C)[C@]4(C)[C@@]3([H])CC[C@]12C,DRUG_8547
8548,8548,8548,8548,8548,8548,8548,8548,DB08025,"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE",DrugBank,drug,[H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC,DRUG_8548
8549,8549,8549,8549,8549,8549,8549,8549,DB06594,Agomelatine,DrugBank,drug,COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1,DRUG_8549
8550,8550,8550,8550,8550,8550,8550,8550,DB06696,Arbekacin,DrugBank,drug,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,DRUG_8550
8551,8551,8551,8551,8551,8551,8551,8551,DB11518,Flunixin,DrugBank,drug,CC1=C(C=CC=C1NC1=C(C=CC=N1)C(O)=O)C(F)(F)F,DRUG_8551
8552,8552,8552,8552,8552,8552,8552,8552,DB09087,Potassium alum,DrugBank,drug,[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O,DRUG_8552
8553,8553,8553,8553,8553,8553,8553,8553,DB15266,Tovorafenib,DrugBank,drug,C[C@@H](NC(=O)C1=C(Cl)C(N)=NC=N1)C1=NC=C(S1)C(=O)NC1=NC=C(Cl)C(=C1)C(F)(F)F,DRUG_8553
8554,8554,8554,8554,8554,8554,8554,8554,DB00931,Metacycline,DrugBank,drug,[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,DRUG_8554
8555,8555,8555,8555,8555,8555,8555,8555,DB04010,2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide,DrugBank,drug,COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O,DRUG_8555
8556,8556,8556,8556,8556,8556,8556,8556,DB11770,Talinolol,DrugBank,drug,CC(C)(C)NCC(O)COC1=CC=C(NC(=O)NC2CCCCC2)C=C1,DRUG_8556
8557,8557,8557,8557,8557,8557,8557,8557,DB00933,Mesoridazine,DrugBank,drug,CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2,DRUG_8557
8558,8558,8558,8558,8558,8558,8558,8558,DB00825,Levomenthol,DrugBank,drug,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,DRUG_8558
8559,8559,8559,8559,8559,8559,8559,8559,DB01194,Brinzolamide,DrugBank,drug,CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_8559
8560,8560,8560,8560,8560,8560,8560,8560,DB03477,1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole,DrugBank,drug,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Br)C=C1)C(F)(F)F,DRUG_8560
8561,8561,8561,8561,8561,8561,8561,8561,DB16168,Fluorocyclopentenylcytosine,DrugBank,drug,NC1=NC(=O)N(C=C1)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F,DRUG_8561
8562,8562,8562,8562,8562,8562,8562,8562,DB08913,Radium Ra 223 dichloride,DrugBank,drug,[Cl-].[Cl-].[223Ra++],DRUG_8562
8563,8563,8563,8563,8563,8563,8563,8563,DB13884,Albutrepenonacog alfa,DrugBank,drug,,DRUG_8563
8564,8564,8564,8564,8564,8564,8564,8564,DB12298,5-Hydroxymethylfurfural,DrugBank,drug,OCC1=CC=C(O1)C=O,DRUG_8564
8565,8565,8565,8565,8565,8565,8565,8565,DB06741,Gavestinel,DrugBank,drug,OC(=O)C1=C(\C=C\C(=O)NC2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1,DRUG_8565
8566,8566,8566,8566,8566,8566,8566,8566,DB12054,BQ-123,DrugBank,drug,CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC1=O)C(C)C,DRUG_8566
8567,8567,8567,8567,8567,8567,8567,8567,DB06956,"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",DrugBank,drug,CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,DRUG_8567
8568,8568,8568,8568,8568,8568,8568,8568,DB03714,4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid,DrugBank,drug,[H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O,DRUG_8568
8569,8569,8569,8569,8569,8569,8569,8569,DB03404,Hemin,DrugBank,drug,,DRUG_8569
8570,8570,8570,8570,8570,8570,8570,8570,DB05974,Transcrocetinate,DrugBank,drug,C\C(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C(O)=O,DRUG_8570
8571,8571,8571,8571,8571,8571,8571,8571,DB04377,Meglutol,DrugBank,drug,CC(O)(CC(O)=O)CC(O)=O,DRUG_8571
8572,8572,8572,8572,8572,8572,8572,8572,DB08001,5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID,DrugBank,drug,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O,DRUG_8572
8573,8573,8573,8573,8573,8573,8573,8573,DB02831,Dihydrogenphosphate,DrugBank,drug,[H]OP([O-])(=O)O[H],DRUG_8573
8574,8574,8574,8574,8574,8574,8574,8574,DB07985,+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE,DrugBank,drug,[H][C@](CCC1=CC=C(C=C1)C(N)=N)(CC(=O)OC)C1=CC=CC(=C1)C(N)=N,DRUG_8574
8575,8575,8575,8575,8575,8575,8575,8575,DB02756,Pyroquilon,DrugBank,drug,O=C1CCC2=CC=CC3=C2N1CC3,DRUG_8575
8576,8576,8576,8576,8576,8576,8576,8576,DB02796,9-deazainosine,DrugBank,drug,[H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],DRUG_8576
8577,8577,8577,8577,8577,8577,8577,8577,DB08348,"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE",DrugBank,drug,CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1,DRUG_8577
8578,8578,8578,8578,8578,8578,8578,8578,DB05464,NOX-700,DrugBank,drug,,DRUG_8578
8579,8579,8579,8579,8579,8579,8579,8579,DB11892,Prulifloxacin,DrugBank,drug,CC1SC2=C(C(O)=O)C(=O)C3=CC(F)=C(C=C3N12)N1CCN(CC2=C(C)OC(=O)O2)CC1,DRUG_8579
8580,8580,8580,8580,8580,8580,8580,8580,DB13947,Testosterone enantate benzilic acid hydrazone,DrugBank,drug,[H]N(N=C1CC[C@@]2(C)C(CC[C@@]3([H])[C@]4([H])CC[C@H](OC(=O)CCCCCC)[C@@]4(C)CC[C@]23[H])=C1)C(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8580
8581,8581,8581,8581,8581,8581,8581,8581,DB01969,Trifluoroacetonyl coenzyme A,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C(F)(F)F)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_8581
8582,8582,8582,8582,8582,8582,8582,8582,DB13845,Etafenone,DrugBank,drug,CCN(CC)CCOC1=CC=CC=C1C(=O)CCC1=CC=CC=C1,DRUG_8582
8583,8583,8583,8583,8583,8583,8583,8583,DB05749,MPI-674,DrugBank,drug,,DRUG_8583
8584,8584,8584,8584,8584,8584,8584,8584,DB06589,Pazopanib,DrugBank,drug,CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1,DRUG_8584
8585,8585,8585,8585,8585,8585,8585,8585,DB12692,Gusperimus,DrugBank,drug,NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCNC(N)=N,DRUG_8585
8586,8586,8586,8586,8586,8586,8586,8586,DB15499,Cerdulatinib,DrugBank,drug,CCS(=O)(=O)N1CCN(CC1)C1=CC=C(NC2=NC=C(C(N)=O)C(NC3CC3)=N2)C=C1,DRUG_8586
8587,8587,8587,8587,8587,8587,8587,8587,DB04316,D-[(N-Hydroxyamino)Carbonyl]Phenylalanine,DrugBank,drug,[H]N(O)C(=O)N([H])[C@H](CC1=CC=CC=C1)C(O)=O,DRUG_8587
8588,8588,8588,8588,8588,8588,8588,8588,DB05959,ENMD-1198,DrugBank,drug,COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O,DRUG_8588
8589,8589,8589,8589,8589,8589,8589,8589,DB07027,D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide,DrugBank,drug,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(F)=C1,DRUG_8589
8590,8590,8590,8590,8590,8590,8590,8590,DB08999,Cyclopentamine,DrugBank,drug,CNC(C)CC1CCCC1,DRUG_8590
8591,8591,8591,8591,8591,8591,8591,8591,DB04617,"(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM",DrugBank,drug,[NH3+]CCCCCCCCNC1=C2CCCCC2=[NH+]C2=CC=CC=C12,DRUG_8591
8592,8592,8592,8592,8592,8592,8592,8592,DB16098,Atogepant,DrugBank,drug,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F,DRUG_8592
8593,8593,8593,8593,8593,8593,8593,8593,DB14908,Refanezumab,DrugBank,drug,,DRUG_8593
8594,8594,8594,8594,8594,8594,8594,8594,DB15290,Pegteograstim,DrugBank,drug,,DRUG_8594
8595,8595,8595,8595,8595,8595,8595,8595,DB11840,Dalotuzumab,DrugBank,drug,,DRUG_8595
8596,8596,8596,8596,8596,8596,8596,8596,DB05752,ALKS 27,DrugBank,drug,,DRUG_8596
8597,8597,8597,8597,8597,8597,8597,8597,DB05981,MN-246,DrugBank,drug,,DRUG_8597
8598,8598,8598,8598,8598,8598,8598,8598,DB03923,Feruloyl Coenzyme A,DrugBank,drug,COC1=CC(\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]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)=CC(O)=C1O,DRUG_8598
8599,8599,8599,8599,8599,8599,8599,8599,DB04676,Dansyllysine,DrugBank,drug,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@H](N)C(O)=O,DRUG_8599
8600,8600,8600,8600,8600,8600,8600,8600,DB09224,Melperone,DrugBank,drug,CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,DRUG_8600
8601,8601,8601,8601,8601,8601,8601,8601,DB14900,ISO-1 F-18,DrugBank,drug,COC1=C(OC)C=C2CN(CCCCNC(=O)C3=C(OCC[18F])C=CC(C)=C3)CCC2=C1,DRUG_8601
8602,8602,8602,8602,8602,8602,8602,8602,DB00005,Etanercept,DrugBank,drug,,DRUG_8602
8603,8603,8603,8603,8603,8603,8603,8603,DB08454,N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE,DrugBank,drug,CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1,DRUG_8603
8604,8604,8604,8604,8604,8604,8604,8604,DB06885,3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid,DrugBank,drug,OC(=O)CCO\N=C\C1=C(C=CC=C1)C(F)(F)F,DRUG_8604
8605,8605,8605,8605,8605,8605,8605,8605,DB11837,Osilodrostat,DrugBank,drug,FC1=C(C=CC(=C1)C#N)[C@H]1CCC2=CN=CN12,DRUG_8605
8606,8606,8606,8606,8606,8606,8606,8606,DB14777,Murepavadin,DrugBank,drug,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,DRUG_8606
8607,8607,8607,8607,8607,8607,8607,8607,DB13979,Besilesomab,DrugBank,drug,,DRUG_8607
8608,8608,8608,8608,8608,8608,8608,8608,DB06455,Meclinertant,DrugBank,drug,COC1=CC=CC(OC)=C1C1=CC(=NN1C1=C2C=CC(Cl)=CC2=NC=C1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O,DRUG_8608
8609,8609,8609,8609,8609,8609,8609,8609,DB13792,Clopamide,DrugBank,drug,C[C@H]1CCC[C@@H](C)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,DRUG_8609
8610,8610,8610,8610,8610,8610,8610,8610,DB12020,Tecovirimat,DrugBank,drug,FC(F)(F)C1=CC=C(C=C1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O,DRUG_8610
8611,8611,8611,8611,8611,8611,8611,8611,DB02691,Glycocholic acid,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O,DRUG_8611
8612,8612,8612,8612,8612,8612,8612,8612,DB00996,Gabapentin,DrugBank,drug,NCC1(CC(O)=O)CCCCC1,DRUG_8612
8613,8613,8613,8613,8613,8613,8613,8613,DB06419,Cethromycin,DrugBank,drug,[H]C(CO[C@]1(C)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C)C)=C([H])C1=CC2=C(C=CC=C2)N=C1,DRUG_8613
8614,8614,8614,8614,8614,8614,8614,8614,DB16699,Vutrisiran,DrugBank,drug,,DRUG_8614
8615,8615,8615,8615,8615,8615,8615,8615,DB01762,Acetoacetic acid,DrugBank,drug,CC(=O)CC(O)=O,DRUG_8615
8616,8616,8616,8616,8616,8616,8616,8616,DB02419,Ethyl Oxo(Piperidin-1-Yl)Acetate,DrugBank,drug,CCOC(=O)C(=O)N1CCCCC1,DRUG_8616
8617,8617,8617,8617,8617,8617,8617,8617,DB01901,Sucrosofate,DrugBank,drug,OS(=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,DRUG_8617
8618,8618,8618,8618,8618,8618,8618,8618,DB04604,5-iodotubercidin,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_8618
8619,8619,8619,8619,8619,8619,8619,8619,DB03425,"2s,4r-4-Methylglutamate",DrugBank,drug,[H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O,DRUG_8619
8620,8620,8620,8620,8620,8620,8620,8620,DB14935,Serabelisib,DrugBank,drug,NC1=NC2=CC(=CC=C2O1)C1=CN2C(C=C1)=NC=C2C(=O)N1CCOCC1,DRUG_8620
8621,8621,8621,8621,8621,8621,8621,8621,DB00030,Insulin human,DrugBank,drug,,DRUG_8621
8622,8622,8622,8622,8622,8622,8622,8622,DB03102,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid",DrugBank,drug,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1,DRUG_8622
8623,8623,8623,8623,8623,8623,8623,8623,DB06927,[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE,DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2,DRUG_8623
8624,8624,8624,8624,8624,8624,8624,8624,DB00136,Calcitriol,DrugBank,drug,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,DRUG_8624
8625,8625,8625,8625,8625,8625,8625,8625,DB11273,Dihydroergocornine,DrugBank,drug,[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,DRUG_8625
8626,8626,8626,8626,8626,8626,8626,8626,DB11731,Depatuxizumab mafodotin,DrugBank,drug,,DRUG_8626
8627,8627,8627,8627,8627,8627,8627,8627,DB12327,Salvinorin A,DrugBank,drug,COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1,DRUG_8627
8628,8628,8628,8628,8628,8628,8628,8628,DB08206,"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL",DrugBank,drug,OC1=C(Br)C=C(C=C1Br)C1=NC2=C(O1)C=CC=C2,DRUG_8628
8629,8629,8629,8629,8629,8629,8629,8629,DB06185,Forodesine,DrugBank,drug,OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O,DRUG_8629
8630,8630,8630,8630,8630,8630,8630,8630,DB13514,Pranoprofen,DrugBank,drug,CC(C(O)=O)C1=CC2=C(OC3=C(C2)C=CC=N3)C=C1,DRUG_8630
8631,8631,8631,8631,8631,8631,8631,8631,DB15138,AZD-9496,DrugBank,drug,C[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1CC(C)(C)F)C1=C(F)C=C(\C=C\C(O)=O)C=C1F,DRUG_8631
8632,8632,8632,8632,8632,8632,8632,8632,DB03725,5'-Guanylylmethylenebisphosphonate,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_8632
8633,8633,8633,8633,8633,8633,8633,8633,DB02448,N-Tridecanoic Acid,DrugBank,drug,CCCCCCCCCCCCC(O)=O,DRUG_8633
8634,8634,8634,8634,8634,8634,8634,8634,DB08293,"(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",DrugBank,drug,OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl,DRUG_8634
8635,8635,8635,8635,8635,8635,8635,8635,DB11943,Delafloxacin,DrugBank,drug,NC1=NC(N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23)=C(F)C=C1F,DRUG_8635
8636,8636,8636,8636,8636,8636,8636,8636,DB19043,Imlunestrant,DrugBank,drug,[H][C@@]1(OC2=CC(=CC=C2C2=C1C1=CC=C(O)C=C1N=C2)C(F)(F)F)C1=CC=C(OCCN2CC(CF)C2)C=C1,DRUG_8636
8637,8637,8637,8637,8637,8637,8637,8637,DB09252,Pivhydrazine,DrugBank,drug,[H]N(CC1=CC=CC=C1)N([H])C(=O)C(C)(C)C,DRUG_8637
8638,8638,8638,8638,8638,8638,8638,8638,DB11909,Varespladib,DrugBank,drug,CCC1=C(C(=O)C(N)=O)C2=C(OCC(O)=O)C=CC=C2N1CC1=CC=CC=C1,DRUG_8638
8639,8639,8639,8639,8639,8639,8639,8639,DB01026,Ketoconazole,DrugBank,drug,CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,DRUG_8639
8640,8640,8640,8640,8640,8640,8640,8640,DB12487,Promestriene,DrugBank,drug,[H][C@@]12CC[C@H](OC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OCCC)C=C3,DRUG_8640
8641,8641,8641,8641,8641,8641,8641,8641,DB15690,Fluoroestradiol F-18,DrugBank,drug,[H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_8641
8642,8642,8642,8642,8642,8642,8642,8642,DB04407,4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol,DrugBank,drug,CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1,DRUG_8642
8643,8643,8643,8643,8643,8643,8643,8643,DB00159,Icosapent,DrugBank,drug,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,DRUG_8643
8644,8644,8644,8644,8644,8644,8644,8644,DB12570,Onatasertib,DrugBank,drug,CO[C@H]1CC[C@@H](CC1)N1C(=O)CNC2=C1N=C(C=N2)C1=CN=C(C=C1)C(C)(C)O,DRUG_8644
8645,8645,8645,8645,8645,8645,8645,8645,DB07553,"9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE",DrugBank,drug,FC(F)(F)C(=O)CCCCCCC(=O)NC1=CC=CC=C1,DRUG_8645
8646,8646,8646,8646,8646,8646,8646,8646,DB02405,12-Bromododecanoic Acid,DrugBank,drug,OC(=O)CCCCCCCCCCCBr,DRUG_8646
8647,8647,8647,8647,8647,8647,8647,8647,DB05718,Maxy-G34,DrugBank,drug,,DRUG_8647
8648,8648,8648,8648,8648,8648,8648,8648,DB11691,Naldemedine,DrugBank,drug,[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O,DRUG_8648
8649,8649,8649,8649,8649,8649,8649,8649,DB02818,Iodo-Willardiine,DrugBank,drug,N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O,DRUG_8649
8650,8650,8650,8650,8650,8650,8650,8650,DB02406,N-Valeric Acid,DrugBank,drug,CCCCC(O)=O,DRUG_8650
8651,8651,8651,8651,8651,8651,8651,8651,DB00754,Ethotoin,DrugBank,drug,CCN1C(=O)NC(C1=O)C1=CC=CC=C1,DRUG_8651
8652,8652,8652,8652,8652,8652,8652,8652,DB01328,Cefonicid,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,DRUG_8652
8653,8653,8653,8653,8653,8653,8653,8653,DB13517,Angiotensinamide,DrugBank,drug,,DRUG_8653
8654,8654,8654,8654,8654,8654,8654,8654,DB08309,3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL,DrugBank,drug,OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,DRUG_8654
8655,8655,8655,8655,8655,8655,8655,8655,DB08594,TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE,DrugBank,drug,CN(NC(=O)OC(C)(C)C)C#N,DRUG_8655
8656,8656,8656,8656,8656,8656,8656,8656,DB14886,BIO-11006,DrugBank,drug,C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O,DRUG_8656
8657,8657,8657,8657,8657,8657,8657,8657,DB11152,Trichloroacetate,DrugBank,drug,,DRUG_8657
8658,8658,8658,8658,8658,8658,8658,8658,DB16332,Sodelglitazar,DrugBank,drug,CC1=C(CSC2=CC=C(OC(C)(C)C(O)=O)C(C)=C2)SC(=N1)C1=CC=C(C=C1F)C(F)(F)F,DRUG_8658
8659,8659,8659,8659,8659,8659,8659,8659,DB13068,9-(N-methyl-L-isoleucine)-cyclosporin A,DrugBank,drug,CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C,DRUG_8659
8660,8660,8660,8660,8660,8660,8660,8660,DB04525,N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide,DrugBank,drug,CCCCCNC(=O)[C@H](CC1=CC=C(OCC(O)=O)C(=C1)C(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(O)=O,DRUG_8660
8661,8661,8661,8661,8661,8661,8661,8661,DB12226,Terameprocol,DrugBank,drug,COC1=CC=C(C[C@H](C)[C@H](C)CC2=CC=C(OC)C(OC)=C2)C=C1OC,DRUG_8661
8662,8662,8662,8662,8662,8662,8662,8662,DB00607,Nafcillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O,DRUG_8662
8663,8663,8663,8663,8663,8663,8663,8663,DB01157,Trimetrexate,DrugBank,drug,COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC,DRUG_8663
8664,8664,8664,8664,8664,8664,8664,8664,DB06616,Bosutinib,DrugBank,drug,COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl,DRUG_8664
8665,8665,8665,8665,8665,8665,8665,8665,DB00821,Carprofen,DrugBank,drug,CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1,DRUG_8665
8666,8666,8666,8666,8666,8666,8666,8666,DB14086,Cianidanol,DrugBank,drug,O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC=C(O)C(O)=C1,DRUG_8666
8667,8667,8667,8667,8667,8667,8667,8667,DB07379,(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol,DrugBank,drug,[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C,DRUG_8667
8668,8668,8668,8668,8668,8668,8668,8668,DB06174,Noscapine,DrugBank,drug,[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12,DRUG_8668
8669,8669,8669,8669,8669,8669,8669,8669,DB04440,Nebularine,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_8669
8670,8670,8670,8670,8670,8670,8670,8670,DB01137,Levofloxacin,DrugBank,drug,C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,DRUG_8670
8671,8671,8671,8671,8671,8671,8671,8671,DB05984,RAF-265,DrugBank,drug,CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12,DRUG_8671
8672,8672,8672,8672,8672,8672,8672,8672,DB07087,"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DrugBank,drug,[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C,DRUG_8672
8673,8673,8673,8673,8673,8673,8673,8673,DB07152,N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide,DrugBank,drug,CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1,DRUG_8673
8674,8674,8674,8674,8674,8674,8674,8674,DB04307,5-Hydroxy-N-Propargyl-1(R)-Aminoindan,DrugBank,drug,[H][C@]1(CCC2=CC=C(O)C=C12)NCC#C,DRUG_8674
8675,8675,8675,8675,8675,8675,8675,8675,DB08949,Inositol nicotinate,DrugBank,drug,O=C(O[C@H]1[C@H](OC(=O)C2=CC=CN=C2)[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@@H]1OC(=O)C1=CC=CN=C1)C1=CC=CN=C1,DRUG_8675
8676,8676,8676,8676,8676,8676,8676,8676,DB08091,3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE,DrugBank,drug,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,DRUG_8676
8677,8677,8677,8677,8677,8677,8677,8677,DB08175,"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID",DrugBank,drug,COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O,DRUG_8677
8678,8678,8678,8678,8678,8678,8678,8678,DB14627,Oxyphenisatin acetate,DrugBank,drug,CC(=O)OC1=CC=C(C=C1)C1(C(=O)NC2=CC=CC=C12)C1=CC=C(OC(C)=O)C=C1,DRUG_8678
8679,8679,8679,8679,8679,8679,8679,8679,DB00438,Ceftazidime,DrugBank,drug,[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1,DRUG_8679
8680,8680,8680,8680,8680,8680,8680,8680,DB13491,Fluperolone,DrugBank,drug,C[C@H](O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C,DRUG_8680
8681,8681,8681,8681,8681,8681,8681,8681,DB09305,Aptazapine,DrugBank,drug,CN1CCN2C(C1)C1=CC=CN1CC1=C2C=CC=C1,DRUG_8681
8682,8682,8682,8682,8682,8682,8682,8682,DB06186,Ipilimumab,DrugBank,drug,,DRUG_8682
8683,8683,8683,8683,8683,8683,8683,8683,DB13070,Surinabant,DrugBank,drug,CCC1=C(N(N=C1C(=O)NN1CCCCC1)C1=CC=C(Cl)C=C1Cl)C1=CC=C(Br)C=C1,DRUG_8683
8684,8684,8684,8684,8684,8684,8684,8684,DB16456,Human Interleukin 8,DrugBank,drug,,DRUG_8684
8685,8685,8685,8685,8685,8685,8685,8685,DB11806,VTP-194204,DrugBank,drug,C\C(\C=C\[C@@H]1C[C@]1(C)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C)=C/C(O)=O,DRUG_8685
8686,8686,8686,8686,8686,8686,8686,8686,DB17309,Minnelide,DrugBank,drug,[Na+].[Na+].[H][C@@]12C[C@@H]3O[C@@]33[C@H](OCOP([O-])([O-])=O)[C@]4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CCC1=C2COC1=O)C(C)C,DRUG_8686
8687,8687,8687,8687,8687,8687,8687,8687,DB08848,Guvacine,DrugBank,drug,OC(=O)C1=CCCNC1,DRUG_8687
8688,8688,8688,8688,8688,8688,8688,8688,DB06651,DiaPep 277,DrugBank,drug,[H][C@](C)(O)[C@]([H])(N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@]1([H])CCCN1C(=O)[C@@]([H])(N=C(O)[C@@]([H])(N=C(O)[C@]([H])(CCCNC(N)=N)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@]([H])(CC(C)C)N=C(O)[C@@]([H])(N)C(C)C)C(C)C)C(C)C)[C@@]([H])(C)CC)C(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(C)C(O)=N[C@@]([H])(CC(O)=N)C(O)=N[C@@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CC(O)=O)C(O)=O,DRUG_8688
8689,8689,8689,8689,8689,8689,8689,8689,DB03886,Biopterin,DrugBank,drug,C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1,DRUG_8689
8690,8690,8690,8690,8690,8690,8690,8690,DB00792,Tripelennamine,DrugBank,drug,CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1,DRUG_8690
8691,8691,8691,8691,8691,8691,8691,8691,DB12901,Fiacitabine,DrugBank,drug,NC1=NC(=O)N(C=C1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,DRUG_8691
8692,8692,8692,8692,8692,8692,8692,8692,DB02308,"4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium",DrugBank,drug,[NH3+]CCCCOB1OCCO1,DRUG_8692
8693,8693,8693,8693,8693,8693,8693,8693,DB02152,K-252a,DrugBank,drug,[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13,DRUG_8693
8694,8694,8694,8694,8694,8694,8694,8694,DB01092,Ouabain,DrugBank,drug,[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,DRUG_8694
8695,8695,8695,8695,8695,8695,8695,8695,DB05069,ATG003,DrugBank,drug,,DRUG_8695
8696,8696,8696,8696,8696,8696,8696,8696,DB08015,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime",DrugBank,drug,O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1,DRUG_8696
8697,8697,8697,8697,8697,8697,8697,8697,DB03442,Acid yellow 54 free acid,DrugBank,drug,CC1=NN(C(O)=C1\N=N\C1=CC(=CC=C1C(O)=O)S(O)(=O)=O)C1=C(C)C=C(C=C1)S(O)(=O)=O,DRUG_8697
8698,8698,8698,8698,8698,8698,8698,8698,DB12679,WP-1066,DrugBank,drug,C[C@H](NC(=O)C(=C\C1=CC=CC(Br)=N1)\C#N)C1=CC=CC=C1,DRUG_8698
8699,8699,8699,8699,8699,8699,8699,8699,DB07830,"(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE",DrugBank,drug,[H][C@]1(N)CN(CCC2=CC=C3OCOC3=C2)C(=O)C[C@]1([H])C1=CC(F)=C(F)C=C1F,DRUG_8699
8700,8700,8700,8700,8700,8700,8700,8700,DB02035,Hexadecanesulfonyl fluoride,DrugBank,drug,CCCCCCCCCCCCCCCCS(F)(=O)=O,DRUG_8700
8701,8701,8701,8701,8701,8701,8701,8701,DB11085,Resorcinol,DrugBank,drug,OC1=CC(O)=CC=C1,DRUG_8701
8702,8702,8702,8702,8702,8702,8702,8702,DB19378,Megestrol,DrugBank,drug,[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,DRUG_8702
8703,8703,8703,8703,8703,8703,8703,8703,DB01063,Acetophenazine,DrugBank,drug,CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,DRUG_8703
8704,8704,8704,8704,8704,8704,8704,8704,DB15245,Olorofim,DrugBank,drug,CN1C(C)=CC(=C1C(=O)C(=O)NC1=CC=C(C=C1)N1CCN(CC1)C1=NC=C(F)C=N1)C1=CC=CC=C1,DRUG_8704
8705,8705,8705,8705,8705,8705,8705,8705,DB12520,Plozalizumab,DrugBank,drug,,DRUG_8705
8706,8706,8706,8706,8706,8706,8706,8706,DB01581,Sulfamerazine,DrugBank,drug,CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1,DRUG_8706
8707,8707,8707,8707,8707,8707,8707,8707,DB07426,"[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)",DrugBank,drug,OC(COC1=CC=CC(=C1)C1=CC=CC(=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_8707
8708,8708,8708,8708,8708,8708,8708,8708,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",DrugBank,drug,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=CC2=NC=NN12,DRUG_8708
8709,8709,8709,8709,8709,8709,8709,8709,DB13139,Levosalbutamol,DrugBank,drug,CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1,DRUG_8709
8710,8710,8710,8710,8710,8710,8710,8710,DB15214,BMS-986104,DrugBank,drug,CCCCCC[C@@H]1CCC2=C(C1)C=CC(=C2)[C@H]1CC[C@](N)(CO)C1,DRUG_8710
8711,8711,8711,8711,8711,8711,8711,8711,DB02628,"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide",DrugBank,drug,[H][C@@](C)(NC)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]1([H])CCCC2=C1C=CC=C2)C(C)(C)C,DRUG_8711
8712,8712,8712,8712,8712,8712,8712,8712,DB15773,anti-OX40 antibody BMS 986178,DrugBank,drug,,DRUG_8712
8713,8713,8713,8713,8713,8713,8713,8713,DB07565,Chloramphenicol succinate,DrugBank,drug,O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O,DRUG_8713
8714,8714,8714,8714,8714,8714,8714,8714,DB00061,Pegademase,DrugBank,drug,,DRUG_8714
8715,8715,8715,8715,8715,8715,8715,8715,DB02486,2-Hydroxyethyl Disulfide,DrugBank,drug,OCCSSCCO,DRUG_8715
8716,8716,8716,8716,8716,8716,8716,8716,DB11102,N-acetyltyrosine,DrugBank,drug,CC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,DRUG_8716
8717,8717,8717,8717,8717,8717,8717,8717,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",DrugBank,drug,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,DRUG_8717
8718,8718,8718,8718,8718,8718,8718,8718,DB03568,Butyric Acid,DrugBank,drug,CCCC(O)=O,DRUG_8718
8719,8719,8719,8719,8719,8719,8719,8719,DB02778,"2,5-Anhydroglucitol-1,6-Biphosphate",DrugBank,drug,[H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,DRUG_8719
8720,8720,8720,8720,8720,8720,8720,8720,DB03769,D-Eritadenine,DrugBank,drug,[H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O,DRUG_8720
8721,8721,8721,8721,8721,8721,8721,8721,DB09285,Morniflumate,DrugBank,drug,FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1,DRUG_8721
8722,8722,8722,8722,8722,8722,8722,8722,DB00097,Choriogonadotropin alfa,DrugBank,drug,,DRUG_8722
8723,8723,8723,8723,8723,8723,8723,8723,DB05708,GTS-21,DrugBank,drug,[H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1,DRUG_8723
8724,8724,8724,8724,8724,8724,8724,8724,DB11937,Kynurenic Acid,DrugBank,drug,OC(=O)C1=CC(=O)C2=CC=CC=C2N1,DRUG_8724
8725,8725,8725,8725,8725,8725,8725,8725,DB04946,Iloperidone,DrugBank,drug,COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O,DRUG_8725
8726,8726,8726,8726,8726,8726,8726,8726,DB15769,Envafolimab,DrugBank,drug,,DRUG_8726
8727,8727,8727,8727,8727,8727,8727,8727,DB12927,Theodrenaline,DrugBank,drug,CN1C2=C(N(CCNCC(O)C3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O,DRUG_8727
8728,8728,8728,8728,8728,8728,8728,8728,DB02669,RB106,DrugBank,drug,[H][C@](S)(CC1=CC=CC=C1)C(=O)NCC(=O)N1[C@@]([H])(CC[C@]1([H])C1=CC=CC=C1)C(O)=O,DRUG_8728
8729,8729,8729,8729,8729,8729,8729,8729,DB11902,Gisadenafil,DrugBank,drug,CCOC1=NC=C(C=C1C1=NC2=C(CC)N(CCOC)N=C2C(=O)N1)S(=O)(=O)N1CCN(CC)CC1,DRUG_8729
8730,8730,8730,8730,8730,8730,8730,8730,DB01367,Rasagiline,DrugBank,drug,C#CCN[C@@H]1CCC2=CC=CC=C12,DRUG_8730
8731,8731,8731,8731,8731,8731,8731,8731,DB08486,Efaproxiral,DrugBank,drug,CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1,DRUG_8731
8732,8732,8732,8732,8732,8732,8732,8732,DB13751,Glycyrrhizic acid,DrugBank,drug,[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,DRUG_8732
8733,8733,8733,8733,8733,8733,8733,8733,DB00633,Dexmedetomidine,DrugBank,drug,C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1,DRUG_8733
8734,8734,8734,8734,8734,8734,8734,8734,DB01204,Mitoxantrone,DrugBank,drug,OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O,DRUG_8734
8735,8735,8735,8735,8735,8735,8735,8735,DB00190,Carbidopa,DrugBank,drug,C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O,DRUG_8735
8736,8736,8736,8736,8736,8736,8736,8736,DB03064,"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline",DrugBank,drug,CCCCCCCCCCC1=C(O)C(=O)NC1=O,DRUG_8736
8737,8737,8737,8737,8737,8737,8737,8737,DB00361,Vinorelbine,DrugBank,drug,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC,DRUG_8737
8738,8738,8738,8738,8738,8738,8738,8738,DB03601,5-deoxyflavanone,DrugBank,drug,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=C(O)C=C2O1,DRUG_8738
8739,8739,8739,8739,8739,8739,8739,8739,DB14123,Menthol,DrugBank,drug,CC(C)C1CCC(C)CC1O,DRUG_8739
8740,8740,8740,8740,8740,8740,8740,8740,DB12973,Serlopitant,DrugBank,drug,C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1C1=CC=C(F)C=C1)C1=CC(=O)CC1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,DRUG_8740
8741,8741,8741,8741,8741,8741,8741,8741,DB11060,Polyvinyl alcohol,DrugBank,drug,,DRUG_8741
8742,8742,8742,8742,8742,8742,8742,8742,DB18479,Rodatristat ethyl,DrugBank,drug,CCOC(=O)[C@@H]1CC2(CN1)CCN(CC2)C1=CC(O[C@H](C2=CC=C(Cl)C=C2C2=CC=CC=C2)C(F)(F)F)=NC(N)=N1,DRUG_8742
8743,8743,8743,8743,8743,8743,8743,8743,DB18810,Tarafenacin,DrugBank,drug,FC1=CC=CC(=C1)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)O[C@H]1CN2CCC1CC2,DRUG_8743
8744,8744,8744,8744,8744,8744,8744,8744,DB17022,Arachidonyltrifluoromethane,DrugBank,drug,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F,DRUG_8744
8745,8745,8745,8745,8745,8745,8745,8745,DB00437,Allopurinol,DrugBank,drug,OC1=NC=NC2=C1C=NN2,DRUG_8745
8746,8746,8746,8746,8746,8746,8746,8746,DB13688,Drisapersen,DrugBank,drug,,DRUG_8746
8747,8747,8747,8747,8747,8747,8747,8747,DB07132,1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA,DrugBank,drug,[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O,DRUG_8747
8748,8748,8748,8748,8748,8748,8748,8748,DB03247,Flavin mononucleotide,DrugBank,drug,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,DRUG_8748
8749,8749,8749,8749,8749,8749,8749,8749,DB00191,Phentermine,DrugBank,drug,CC(C)(N)CC1=CC=CC=C1,DRUG_8749
8750,8750,8750,8750,8750,8750,8750,8750,DB12422,Sulforaphane,DrugBank,drug,C[S@@](=O)CCCCN=C=S,DRUG_8750
8751,8751,8751,8751,8751,8751,8751,8751,DB04601,"4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",DrugBank,drug,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1,DRUG_8751
8752,8752,8752,8752,8752,8752,8752,8752,DB03095,Tetramethylammonium,DrugBank,drug,C[N+](C)(C)C,DRUG_8752
8753,8753,8753,8753,8753,8753,8753,8753,DB03186,Adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate],DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4C[C@@H](O[C@@H]4COP(O)(O)=O)N4C=CC(=O)N([H])C4=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_8753
8754,8754,8754,8754,8754,8754,8754,8754,DB14924,Ritlecitinib,DrugBank,drug,C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2,DRUG_8754
8755,8755,8755,8755,8755,8755,8755,8755,DB13954,Estradiol cypionate,DrugBank,drug,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1,DRUG_8755
8756,8756,8756,8756,8756,8756,8756,8756,DB12189,Etrolizumab,DrugBank,drug,,DRUG_8756
8757,8757,8757,8757,8757,8757,8757,8757,DB05290,SPP 301,DrugBank,drug,,DRUG_8757
8758,8758,8758,8758,8758,8758,8758,8758,DB00461,Nabumetone,DrugBank,drug,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2,DRUG_8758
8759,8759,8759,8759,8759,8759,8759,8759,DB06858,N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DrugBank,drug,[H][C@]1(CCCN1C(=O)CNC1CCCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,DRUG_8759
8760,8760,8760,8760,8760,8760,8760,8760,DB05420,Gallium maltolate,DrugBank,drug,[Ga+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,DRUG_8760
8761,8761,8761,8761,8761,8761,8761,8761,DB09085,Tetracaine,DrugBank,drug,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,DRUG_8761
8762,8762,8762,8762,8762,8762,8762,8762,DB01244,Bepridil,DrugBank,drug,CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,DRUG_8762
8763,8763,8763,8763,8763,8763,8763,8763,DB11978,Glasdegib,DrugBank,drug,CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N,DRUG_8763
8764,8764,8764,8764,8764,8764,8764,8764,DB11815,Tilarginine,DrugBank,drug,CNC(=N)NCCC[C@H](N)C(O)=O,DRUG_8764
8765,8765,8765,8765,8765,8765,8765,8765,DB03602,S-benzylglutathione,DrugBank,drug,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1)C(=O)N([H])CC(O)=O)C(O)=O,DRUG_8765
8766,8766,8766,8766,8766,8766,8766,8766,DB12131,Vinpocetine,DrugBank,drug,[H][C@]12N3CCC[C@@]1(CC)C=C(N1C4=CC=CC=C4C(CC3)=C21)C(=O)OCC,DRUG_8766
8767,8767,8767,8767,8767,8767,8767,8767,DB01020,Isosorbide mononitrate,DrugBank,drug,[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O,DRUG_8767
8768,8768,8768,8768,8768,8768,8768,8768,DB08035,"1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE",DrugBank,drug,CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1,DRUG_8768
8769,8769,8769,8769,8769,8769,8769,8769,DB15221,PF-06260414,DrugBank,drug,C[C@@H]1CNS(=O)(=O)N(C1)C1=CC2=CC=NC(C#N)=C2C=C1,DRUG_8769
8770,8770,8770,8770,8770,8770,8770,8770,DB07347,4-(2-Aminoethyl)Benzenesulfonyl Fluoride,DrugBank,drug,NCCC1=CC=C(C=C1)S(F)(=O)=O,DRUG_8770
8771,8771,8771,8771,8771,8771,8771,8771,DB16857,Undecanoic acid,DrugBank,drug,CCCCCCCCCCC(O)=O,DRUG_8771
8772,8772,8772,8772,8772,8772,8772,8772,DB07139,3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid,DrugBank,drug,OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O,DRUG_8772
8773,8773,8773,8773,8773,8773,8773,8773,DB04884,Dapoxetine,DrugBank,drug,CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1,DRUG_8773
8774,8774,8774,8774,8774,8774,8774,8774,DB18782,Vonafexor,DrugBank,drug,OC(=O)C1=CC2=C(Cl)C(=CC=C2O1)N1CCN(CC1)S(=O)(=O)C1=C(Cl)C=CC=C1Cl,DRUG_8774
8775,8775,8775,8775,8775,8775,8775,8775,DB11773,BMS-903452,DrugBank,drug,CS(=O)(=O)C1=CC=C(N2C=C(Cl)C(OC3CCN(CC3)C3=NC=C(Cl)C=N3)=CC2=O)C(F)=C1,DRUG_8775
8776,8776,8776,8776,8776,8776,8776,8776,DB04331,Monastrol,DrugBank,drug,CCOC(=O)C1=C(C)NC(=S)N[C@H]1C1=CC=CC(O)=C1,DRUG_8776
8777,8777,8777,8777,8777,8777,8777,8777,DB14067,Dofequidar,DrugBank,drug,OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8777
8778,8778,8778,8778,8778,8778,8778,8778,DB14541,Hydrocortisone cypionate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_8778
8779,8779,8779,8779,8779,8779,8779,8779,DB03839,D-Tyrosine,DrugBank,drug,N[C@H](CC1=CC=C(O)C=C1)C(O)=O,DRUG_8779
8780,8780,8780,8780,8780,8780,8780,8780,DB01783,Pantothenic acid,DrugBank,drug,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,DRUG_8780
8781,8781,8781,8781,8781,8781,8781,8781,DB15071,Omidenepag isopropyl,DrugBank,drug,CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1,DRUG_8781
8782,8782,8782,8782,8782,8782,8782,8782,DB05070,ADX10059,DrugBank,drug,,DRUG_8782
8783,8783,8783,8783,8783,8783,8783,8783,DB06448,Lonafarnib,DrugBank,drug,NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1,DRUG_8783
8784,8784,8784,8784,8784,8784,8784,8784,DB00360,Sapropterin,DrugBank,drug,[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O,DRUG_8784
8785,8785,8785,8785,8785,8785,8785,8785,DB14911,Risuteganib,DrugBank,drug,C[C@@H](O)[C@H](NC(=O)[C@H](CS(O)(=O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N1CCC[C@H]1C(O)=O,DRUG_8785
8786,8786,8786,8786,8786,8786,8786,8786,DB05869,Ethyl pyruvate,DrugBank,drug,CCOC(=O)C(C)=O,DRUG_8786
8787,8787,8787,8787,8787,8787,8787,8787,DB03573,WRR-99,DrugBank,drug,[H][C@](O)(CC(O)=O)C(=O)N[C@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,DRUG_8787
8788,8788,8788,8788,8788,8788,8788,8788,DB12872,Vonicog alfa,DrugBank,drug,,DRUG_8788
8789,8789,8789,8789,8789,8789,8789,8789,DB04108,"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide",DrugBank,drug,[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1,DRUG_8789
8790,8790,8790,8790,8790,8790,8790,8790,DB07028,(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID,DrugBank,drug,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=C(F)C=C(Br)C=C1,DRUG_8790
8791,8791,8791,8791,8791,8791,8791,8791,DB00613,Amodiaquine,DrugBank,drug,CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1,DRUG_8791
8792,8792,8792,8792,8792,8792,8792,8792,DB12399,Polmacoxib,DrugBank,drug,CC1(C)OC(=C(C1=O)C1=CC=CC(F)=C1)C1=CC=C(C=C1)S(N)(=O)=O,DRUG_8792
8793,8793,8793,8793,8793,8793,8793,8793,DB13615,Mifamurtide,DrugBank,drug,O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC,DRUG_8793
8794,8794,8794,8794,8794,8794,8794,8794,DB05107,16-Bromoepiandrosterone,DrugBank,drug,[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,DRUG_8794
8795,8795,8795,8795,8795,8795,8795,8795,DB05022,Amonafide,DrugBank,drug,CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23,DRUG_8795
8796,8796,8796,8796,8796,8796,8796,8796,DB03266,Glutaral,DrugBank,drug,O=CCCCC=O,DRUG_8796
8797,8797,8797,8797,8797,8797,8797,8797,DB16418,Narsoplimab,DrugBank,drug,,DRUG_8797
8798,8798,8798,8798,8798,8798,8798,8798,DB01036,Tolterodine,DrugBank,drug,CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C,DRUG_8798
8799,8799,8799,8799,8799,8799,8799,8799,DB15665,SEP-363856,DrugBank,drug,CNC[C@@H]1OCCC2=C1SC=C2,DRUG_8799
8800,8800,8800,8800,8800,8800,8800,8800,DB06048,RTP-801i,DrugBank,drug,,DRUG_8800
8801,8801,8801,8801,8801,8801,8801,8801,DB04973,LErafAON,DrugBank,drug,,DRUG_8801
8802,8802,8802,8802,8802,8802,8802,8802,DB08834,Tauroursodeoxycholic acid,DrugBank,drug,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,DRUG_8802
8803,8803,8803,8803,8803,8803,8803,8803,DB13877,Iniparib,DrugBank,drug,NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O,DRUG_8803
8804,8804,8804,8804,8804,8804,8804,8804,DB18104,TP-1287,DrugBank,drug,CN1CC[C@@H]([C@H](O)C1)C1=C2OC(=CC(=O)C2=C(O)C=C1OP(O)(O)=O)C1=CC=CC=C1Cl,DRUG_8804
8805,8805,8805,8805,8805,8805,8805,8805,DB15293,Epalrestat,DrugBank,drug,C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/C1=CC=CC=C1,DRUG_8805
8806,8806,8806,8806,8806,8806,8806,8806,DB07858,(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,DrugBank,drug,NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,DRUG_8806
8807,8807,8807,8807,8807,8807,8807,8807,DB02755,1-3 Sugar Ring of Pentamannosyl 6-Phosphate,DrugBank,drug,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O,DRUG_8807
8808,8808,8808,8808,8808,8808,8808,8808,DB14939,Motixafortide,DrugBank,drug,,DRUG_8808
8809,8809,8809,8809,8809,8809,8809,8809,DB08629,"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE",DrugBank,drug,[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H],DRUG_8809
8810,8810,8810,8810,8810,8810,8810,8810,DB01184,Domperidone,DrugBank,drug,ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2,DRUG_8810
8811,8811,8811,8811,8811,8811,8811,8811,DB00221,Isoetharine,DrugBank,drug,CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1,DRUG_8811
8812,8812,8812,8812,8812,8812,8812,8812,DB09016,Butriptyline,DrugBank,drug,,DRUG_8812
8813,8813,8813,8813,8813,8813,8813,8813,DB03604,Tiratricol,DrugBank,drug,OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1,DRUG_8813
8814,8814,8814,8814,8814,8814,8814,8814,DB09231,Benidipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1,DRUG_8814
8815,8815,8815,8815,8815,8815,8815,8815,DB16845,Roblitinib,DrugBank,drug,COCCNC1=CC(NC(=O)N2CCCC3=CC(CN4CCN(C)CC4=O)=C(C=O)N=C23)=NC=C1C#N,DRUG_8815
8816,8816,8816,8816,8816,8816,8816,8816,DB05457,OSI-7904L,DrugBank,drug,,DRUG_8816
8817,8817,8817,8817,8817,8817,8817,8817,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,DrugBank,drug,[H]N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CCC(O)=O)N([H])C(=O)C1=CC=CC=C1,DRUG_8817
8818,8818,8818,8818,8818,8818,8818,8818,DB04514,Uridylyl-2'-5'-phospho-guanosine,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N2C=CC(=O)N([H])C2=O)[C@@H](O)[C@H]1O,DRUG_8818
8819,8819,8819,8819,8819,8819,8819,8819,DB09113,Poractant alfa,DrugBank,drug,,DRUG_8819
8820,8820,8820,8820,8820,8820,8820,8820,DB04447,"1,4-Dithiothreitol",DrugBank,drug,O[C@@H](CS)[C@@H](O)CS,DRUG_8820
8821,8821,8821,8821,8821,8821,8821,8821,DB14539,Hydrocortisone acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_8821
8822,8822,8822,8822,8822,8822,8822,8822,DB03928,"Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol",DrugBank,drug,OC(=O)CSC1=NC(=NO1)C1=CC=CC(Cl)=C1,DRUG_8822
8823,8823,8823,8823,8823,8823,8823,8823,DB04803,Verdoheme,DrugBank,drug,CC1=CC2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6OC7=C(C=C)C(C)=C8C=C1N2[Fe]4(N56)N78)C(C)=C3CCC(O)=O,DRUG_8823
8824,8824,8824,8824,8824,8824,8824,8824,DB14104,Linoleic acid,DrugBank,drug,CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,DRUG_8824
8825,8825,8825,8825,8825,8825,8825,8825,DB11785,Anisodamine,DrugBank,drug,CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,DRUG_8825
8826,8826,8826,8826,8826,8826,8826,8826,DB00430,Cefpiramide,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O,DRUG_8826
8827,8827,8827,8827,8827,8827,8827,8827,DB01406,Danazol,DrugBank,drug,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3,DRUG_8827
8828,8828,8828,8828,8828,8828,8828,8828,DB02170,"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One",DrugBank,drug,OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O,DRUG_8828
8829,8829,8829,8829,8829,8829,8829,8829,DB05846,Mito-4509,DrugBank,drug,,DRUG_8829
8830,8830,8830,8830,8830,8830,8830,8830,DB02701,Nicotinamide,DrugBank,drug,NC(=O)C1=CN=CC=C1,DRUG_8830
8831,8831,8831,8831,8831,8831,8831,8831,DB15169,H3B-6527,DrugBank,drug,CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C(NC(=O)C=C)=C1,DRUG_8831
8832,8832,8832,8832,8832,8832,8832,8832,DB13727,Azapetine,DrugBank,drug,C=CCN1CC2=CC=CC=C2C2=CC=CC=C2C1,DRUG_8832
8833,8833,8833,8833,8833,8833,8833,8833,DB05288,Anecortave acetate,DrugBank,drug,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_8833
8834,8834,8834,8834,8834,8834,8834,8834,DB15291,BMS-986142,DrugBank,drug,CN1C(=O)N(C(=O)C2=C1C(F)=CC=C2)C1=C(C)C(=CC=C1)C1=C2C3=C(C[C@H](CC3)C(C)(C)O)NC2=C(C=C1F)C(N)=O,DRUG_8834
8835,8835,8835,8835,8835,8835,8835,8835,DB00398,Sorafenib,DrugBank,drug,CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,DRUG_8835
8836,8836,8836,8836,8836,8836,8836,8836,DB00914,Phenformin,DrugBank,drug,NC(=N)NC(=N)NCCC1=CC=CC=C1,DRUG_8836
8837,8837,8837,8837,8837,8837,8837,8837,DB12765,Methyl isocyanate,DrugBank,drug,CN=C=O,DRUG_8837
8838,8838,8838,8838,8838,8838,8838,8838,DB04426,Alpha-Methyl-N-Acetyl-D-Glucosamine,DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(NC(C)=O)[C@@]([H])(O)[C@]1([H])O,DRUG_8838
8839,8839,8839,8839,8839,8839,8839,8839,DB08294,2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID,DrugBank,drug,OC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O,DRUG_8839
8840,8840,8840,8840,8840,8840,8840,8840,DB01319,Fosamprenavir,DrugBank,drug,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,DRUG_8840
8841,8841,8841,8841,8841,8841,8841,8841,DB06641,Perifosine,DrugBank,drug,CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1,DRUG_8841
8842,8842,8842,8842,8842,8842,8842,8842,DB13896,Talimogene laherparepvec,DrugBank,drug,,DRUG_8842
8843,8843,8843,8843,8843,8843,8843,8843,DB01247,Isocarboxazid,DrugBank,drug,CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1,DRUG_8843
8844,8844,8844,8844,8844,8844,8844,8844,DB07278,GW-813893,DrugBank,drug,C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,DRUG_8844
8845,8845,8845,8845,8845,8845,8845,8845,DB08129,(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol,DrugBank,drug,[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F,DRUG_8845
8846,8846,8846,8846,8846,8846,8846,8846,DB01411,Pranlukast,DrugBank,drug,O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1,DRUG_8846
8847,8847,8847,8847,8847,8847,8847,8847,DB08442,"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol",DrugBank,drug,[H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C,DRUG_8847
8848,8848,8848,8848,8848,8848,8848,8848,DB07146,"2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE",DrugBank,drug,C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8848
8849,8849,8849,8849,8849,8849,8849,8849,DB12276,Apomine,DrugBank,drug,CC(C)OP(=O)(OC(C)C)C(CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C,DRUG_8849
8850,8850,8850,8850,8850,8850,8850,8850,DB01866,RU79256,DrugBank,drug,[H][C@](C(O)=O)(C1=CC=CC=C1)S(O)(=O)=O,DRUG_8850
8851,8851,8851,8851,8851,8851,8851,8851,DB12572,Pexacerfont,DrugBank,drug,CC[C@@H](C)NC1=NC(C)=NC2=C(C(C)=NN12)C1=CC=C(OC)N=C1C,DRUG_8851
8852,8852,8852,8852,8852,8852,8852,8852,DB11487,Dexamethasone isonicotinate,DrugBank,drug,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(=O)C3=CC=NC=C3)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,DRUG_8852
8853,8853,8853,8853,8853,8853,8853,8853,DB13192,Antihemophilic factor human,DrugBank,drug,,DRUG_8853
8854,8854,8854,8854,8854,8854,8854,8854,DB11761,Tenapanor,DrugBank,drug,CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2,DRUG_8854
8855,8855,8855,8855,8855,8855,8855,8855,DB01237,Bromodiphenhydramine,DrugBank,drug,CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1,DRUG_8855
8856,8856,8856,8856,8856,8856,8856,8856,DB04573,Estriol,DrugBank,drug,[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,DRUG_8856
8857,8857,8857,8857,8857,8857,8857,8857,DB01737,"Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester",DrugBank,drug,[H][C@@](CC1=CC=CC(=C1)C(N)=N)(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC,DRUG_8857
8858,8858,8858,8858,8858,8858,8858,8858,DB07527,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE",DrugBank,drug,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=C(C)C=C(OC)C(C)=C1C,DRUG_8858
8859,8859,8859,8859,8859,8859,8859,8859,DB00254,Doxycycline,DrugBank,drug,[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O,DRUG_8859
8860,8860,8860,8860,8860,8860,8860,8860,DB00893,Iron Dextran,DrugBank,drug,,DRUG_8860
8861,8861,8861,8861,8861,8861,8861,8861,DB07194,"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide",DrugBank,drug,[H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1,DRUG_8861
8862,8862,8862,8862,8862,8862,8862,8862,DB08983,Etofibrate,DrugBank,drug,CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCCOC(=O)C1=CN=CC=C1,DRUG_8862
8863,8863,8863,8863,8863,8863,8863,8863,DB03921,4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline,DrugBank,drug,N1C=C(C(=N1)C1=NC=CC=C1)C1=C2C=CC=CC2=NC=C1,DRUG_8863
8864,8864,8864,8864,8864,8864,8864,8864,DB03904,Urea,DrugBank,drug,NC(N)=O,DRUG_8864
8865,8865,8865,8865,8865,8865,8865,8865,DB08205,"4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL",DrugBank,drug,CC1=CC(=CC(C)=C1O)C1=NC2=CC=CC=C2O1,DRUG_8865
8866,8866,8866,8866,8866,8866,8866,8866,DB06606,Teplizumab,DrugBank,drug,,DRUG_8866
8867,8867,8867,8867,8867,8867,8867,8867,DB03991,"2-deoxy-2,3-dehydro-N-acetylneuraminic acid",DrugBank,drug,[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,DRUG_8867
8868,8868,8868,8868,8868,8868,8868,8868,DB05119,Rilapladib,DrugBank,drug,COCCN1CCC(CC1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C(SCC2=C(F)C(F)=CC=C2)=CC(=O)C2=C1C=CC=C2,DRUG_8868
8869,8869,8869,8869,8869,8869,8869,8869,DB00333,Methadone,DrugBank,drug,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8869
8870,8870,8870,8870,8870,8870,8870,8870,DB06472,Fradafiban,DrugBank,drug,NC(=N)C1=CC=C(C=C1)C1=CC=C(OC[C@@H]2C[C@@H](CC(O)=O)C(=O)N2)C=C1,DRUG_8870
8871,8871,8871,8871,8871,8871,8871,8871,DB03791,GW-3965,DrugBank,drug,OC(=O)CC1=CC=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1,DRUG_8871
8872,8872,8872,8872,8872,8872,8872,8872,DB13314,Alminoprofen,DrugBank,drug,CC(C(O)=O)C1=CC=C(NCC(C)=C)C=C1,DRUG_8872
8873,8873,8873,8873,8873,8873,8873,8873,DB12071,Vabicaserin,DrugBank,drug,C1C[C@H]2CN3CCNCC4=C3C(=CC=C4)[C@H]2C1,DRUG_8873
8874,8874,8874,8874,8874,8874,8874,8874,DB01977,6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine,DrugBank,drug,NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1,DRUG_8874
8875,8875,8875,8875,8875,8875,8875,8875,DB12458,Muscimol,DrugBank,drug,NCC1=CC(=O)NO1,DRUG_8875
8876,8876,8876,8876,8876,8876,8876,8876,DB05184,XL228,DrugBank,drug,,DRUG_8876
8877,8877,8877,8877,8877,8877,8877,8877,DB02463,2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine,DrugBank,drug,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1,DRUG_8877
8878,8878,8878,8878,8878,8878,8878,8878,DB04709,"(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE",DrugBank,drug,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@]1([H])CC[C@@]2([H])CC1)C1=CC=C(C2=CC=CC=C12)[N+]([O-])=O,DRUG_8878
8879,8879,8879,8879,8879,8879,8879,8879,DB15949,Raubasine,DrugBank,drug,[H][C@]12CN3CCC4=C(NC5=CC=CC=C45)[C@]3([H])C[C@]1([H])C(=CO[C@H]2C)C(=O)OC,DRUG_8879
8880,8880,8880,8880,8880,8880,8880,8880,DB01274,Arformoterol,DrugBank,drug,COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1,DRUG_8880
8881,8881,8881,8881,8881,8881,8881,8881,DB00263,Sulfisoxazole,DrugBank,drug,CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C,DRUG_8881
8882,8882,8882,8882,8882,8882,8882,8882,DB13660,Propicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)OC1=CC=CC=C1)C(O)=O,DRUG_8882
8883,8883,8883,8883,8883,8883,8883,8883,DB06207,Silodosin,DrugBank,drug,C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F,DRUG_8883
8884,8884,8884,8884,8884,8884,8884,8884,DB08655,"9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE",DrugBank,drug,CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2,DRUG_8884
8885,8885,8885,8885,8885,8885,8885,8885,DB12307,Foretinib,DrugBank,drug,COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1,DRUG_8885
8886,8886,8886,8886,8886,8886,8886,8886,DB14057,Valinomycin,DrugBank,drug,CC(C)[C@@H]1NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)[C@H](NC(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,DRUG_8886
8887,8887,8887,8887,8887,8887,8887,8887,DB01501,Difenoxin,DrugBank,drug,OC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,DRUG_8887
8888,8888,8888,8888,8888,8888,8888,8888,DB00177,Valsartan,DrugBank,drug,CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O,DRUG_8888
8889,8889,8889,8889,8889,8889,8889,8889,DB07134,"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",DrugBank,drug,ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,DRUG_8889
8890,8890,8890,8890,8890,8890,8890,8890,DB03467,Naringenin,DrugBank,drug,[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1,DRUG_8890
8891,8891,8891,8891,8891,8891,8891,8891,DB07724,Indeglitazar,DrugBank,drug,COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12,DRUG_8891
8892,8892,8892,8892,8892,8892,8892,8892,DB00125,Arginine,DrugBank,drug,N[C@@H](CCCNC(N)=N)C(O)=O,DRUG_8892
8893,8893,8893,8893,8893,8893,8893,8893,DB06536,Tesaglitazar,DrugBank,drug,CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O,DRUG_8893
8894,8894,8894,8894,8894,8894,8894,8894,DB05936,CVT-6883,DrugBank,drug,CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC3=CC=CC(=C3)C(F)(F)F)N=C2)C1=O,DRUG_8894
8895,8895,8895,8895,8895,8895,8895,8895,DB13735,Potassium guaiacolsulfonate,DrugBank,drug,,DRUG_8895
8896,8896,8896,8896,8896,8896,8896,8896,DB00857,Terbinafine,DrugBank,drug,CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12,DRUG_8896
8897,8897,8897,8897,8897,8897,8897,8897,DB08479,"N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide",DrugBank,drug,COC1=CC(OC)=CC(NC(=N)NC(N)=N)=C1,DRUG_8897
8898,8898,8898,8898,8898,8898,8898,8898,DB03956,"Inositol 2,4,5-trisphosphate",DrugBank,drug,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,DRUG_8898
8899,8899,8899,8899,8899,8899,8899,8899,DB13542,Bevonium,DrugBank,drug,C[N+]1(C)CCCCC1COC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8899
8900,8900,8900,8900,8900,8900,8900,8900,DB15575,Padeliporfin,DrugBank,drug,[Pd++].[H][C@]1(C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C(/C(/CC(=O)OC)=C4\[N-]\C(=C/C(=N2)[C@]1([H])CC)C(C)=C4C(=O)NCCS(O)(=O)=O)[C@@]([H])(CCC(O)=O)[C@]3([H])C,DRUG_8900
8901,8901,8901,8901,8901,8901,8901,8901,DB02377,Guanine,DrugBank,drug,NC1=NC(=O)C2=C(N1)N=CN2,DRUG_8901
8902,8902,8902,8902,8902,8902,8902,8902,DB04763,"1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM",DrugBank,drug,CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1,DRUG_8902
8903,8903,8903,8903,8903,8903,8903,8903,DB16555,Lactoferrin,DrugBank,drug,,DRUG_8903
8904,8904,8904,8904,8904,8904,8904,8904,DB07309,5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID,DrugBank,drug,OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1,DRUG_8904
8905,8905,8905,8905,8905,8905,8905,8905,DB07285,"(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID",DrugBank,drug,[H][C@@](CC(O)=O)(C(F)F)S(=O)(=O)C1=CC=C(OC)C=C1,DRUG_8905
8906,8906,8906,8906,8906,8906,8906,8906,DB04793,"1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol",DrugBank,drug,[H]N=C(N([H])[H])C1=CC=C(O[C@@H]2CO[C@]3([H])[C@H](CO[C@]23[H])OC2=CC=CC(=C2)C(=N[H])N([H])[H])C=C1,DRUG_8906
8907,8907,8907,8907,8907,8907,8907,8907,DB11693,Voclosporin,DrugBank,drug,[H][C@@]1([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C,DRUG_8907
8908,8908,8908,8908,8908,8908,8908,8908,DB14966,Venglustat,DrugBank,drug,CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)C1=CSC(=N1)C1=CC=C(F)C=C1,DRUG_8908
8909,8909,8909,8909,8909,8909,8909,8909,DB08394,PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE,DrugBank,drug,OC(=O)CNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,DRUG_8909
8910,8910,8910,8910,8910,8910,8910,8910,DB09248,Mebanazine,DrugBank,drug,CC(NN)C1=CC=CC=C1,DRUG_8910
8911,8911,8911,8911,8911,8911,8911,8911,DB05110,VIR201,DrugBank,drug,,DRUG_8911
8912,8912,8912,8912,8912,8912,8912,8912,DB13627,Oxolinic acid,DrugBank,drug,CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,DRUG_8912
8913,8913,8913,8913,8913,8913,8913,8913,DB01221,Ketamine,DrugBank,drug,CNC1(CCCCC1=O)C1=CC=CC=C1Cl,DRUG_8913
8914,8914,8914,8914,8914,8914,8914,8914,DB11038,Influenza A virus A/Brisbane/59/2007(H1N1) hemagglutinin antigen (propiolactone inactivated),DrugBank,drug,,DRUG_8914
8915,8915,8915,8915,8915,8915,8915,8915,DB13786,Magnesium orotate,DrugBank,drug,[Mg++].[O-]C(=O)C1=CC(=O)NC(=O)N1.[O-]C(=O)C1=CC(=O)NC(=O)N1,DRUG_8915
8916,8916,8916,8916,8916,8916,8916,8916,DB04253,Tretazicar,DrugBank,drug,NC(=O)C1=CC(N2CC2)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,DRUG_8916
8917,8917,8917,8917,8917,8917,8917,8917,DB09093,Chlortetracycline,DrugBank,drug,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O,DRUG_8917
8918,8918,8918,8918,8918,8918,8918,8918,DB06263,Amrubicin,DrugBank,drug,[H][C@@]1(C[C@@](N)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O)O[C@H]1C[C@H](O)[C@H](O)CO1,DRUG_8918
8919,8919,8919,8919,8919,8919,8919,8919,DB00567,Cephalexin,DrugBank,drug,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,DRUG_8919
8920,8920,8920,8920,8920,8920,8920,8920,DB06984,"(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol",DrugBank,drug,[H]N(CC1=CC=CC=C1)[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@]1([H])SC,DRUG_8920
8921,8921,8921,8921,8921,8921,8921,8921,DB08737,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL",DrugBank,drug,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1,DRUG_8921
8922,8922,8922,8922,8922,8922,8922,8922,DB06992,"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone",DrugBank,drug,CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1,DRUG_8922
8923,8923,8923,8923,8923,8923,8923,8923,DB08030,3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide,DrugBank,drug,ONC(=O)CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N,DRUG_8923
8924,8924,8924,8924,8924,8924,8924,8924,DB12391,Sagopilone,DrugBank,drug,C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](CC=C)[C@H]1O)C1=CC=C2SC(C)=NC2=C1,DRUG_8924
8925,8925,8925,8925,8925,8925,8925,8925,DB05102,Rupintrivir,DrugBank,drug,CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](C(C)C)NC(=O)C1=NOC(C)=C1)CC1=CC=C(F)C=C1,DRUG_8925
8926,8926,8926,8926,8926,8926,8926,8926,DB09007,Chlorphenoxamine,DrugBank,drug,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,DRUG_8926
8927,8927,8927,8927,8927,8927,8927,8927,DB08555,"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline",DrugBank,drug,COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1,DRUG_8927
8928,8928,8928,8928,8928,8928,8928,8928,DB07401,Azoxystrobin,DrugBank,drug,CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1,DRUG_8928
8929,8929,8929,8929,8929,8929,8929,8929,DB03114,PAS219,DrugBank,drug,O[P@@](=O)(OCC1CCCCC1)OC1=C(C=O)C=CC=C1,DRUG_8929
8930,8930,8930,8930,8930,8930,8930,8930,DB13364,Feprazone,DrugBank,drug,CC(C)=CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8930
8931,8931,8931,8931,8931,8931,8931,8931,DB01734,3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid,DrugBank,drug,OC(=O)C(=O)NC1=CC2=C(C=CC=C2)C=C1C(O)=O,DRUG_8931
8932,8932,8932,8932,8932,8932,8932,8932,DB00470,Dronabinol,DrugBank,drug,[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1,DRUG_8932
8933,8933,8933,8933,8933,8933,8933,8933,DB04272,Citric acid,DrugBank,drug,OC(=O)CC(O)(CC(O)=O)C(O)=O,DRUG_8933
8934,8934,8934,8934,8934,8934,8934,8934,DB02633,Cibacron Blue,DrugBank,drug,NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,DRUG_8934
8935,8935,8935,8935,8935,8935,8935,8935,DB00858,Drostanolone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,DRUG_8935
8936,8936,8936,8936,8936,8936,8936,8936,DB00798,Gentamicin,DrugBank,drug,[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC,DRUG_8936
8937,8937,8937,8937,8937,8937,8937,8937,DB06016,Cariprazine,DrugBank,drug,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1,DRUG_8937
8938,8938,8938,8938,8938,8938,8938,8938,DB01529,Dextromoramide,DrugBank,drug,C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_8938
8939,8939,8939,8939,8939,8939,8939,8939,DB07342,1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone,DrugBank,drug,[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CN1C=CN=C1,DRUG_8939
8940,8940,8940,8940,8940,8940,8940,8940,DB04931,Afamelanotide,DrugBank,drug,CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,DRUG_8940
8941,8941,8941,8941,8941,8941,8941,8941,DB11254,Hexylresorcinol,DrugBank,drug,CCCCCCC1=C(O)C=C(O)C=C1,DRUG_8941
8942,8942,8942,8942,8942,8942,8942,8942,DB01133,Tiludronic acid,DrugBank,drug,OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O,DRUG_8942
8943,8943,8943,8943,8943,8943,8943,8943,DB11620,Neridronic Acid,DrugBank,drug,NCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,DRUG_8943
8944,8944,8944,8944,8944,8944,8944,8944,DB03239,"3',5'-Dinitro-N-Acetyl-L-Thyronine",DrugBank,drug,[H][C@@](CC1=CC=C(OC2=CC(=C(O)C(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1)(NC(C)=O)C(O)=O,DRUG_8944
8945,8945,8945,8945,8945,8945,8945,8945,DB09062,Cefminox,DrugBank,drug,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H](N)C(O)=O)OC)C(O)=O,DRUG_8945
8946,8946,8946,8946,8946,8946,8946,8946,DB17568,Belvarafenib,DrugBank,drug,CC1=C(NC(=O)C2=CSC3=C(N)N=CN=C23)C2=CC=NC(NC3=CC=CC(Cl)=C3F)=C2C=C1,DRUG_8946
8947,8947,8947,8947,8947,8947,8947,8947,DB02929,K201 free base,DrugBank,drug,COC1=CC=C2SCCN(CC2=C1)C(=O)CCN1CCC(CC2=CC=CC=C2)CC1,DRUG_8947
8948,8948,8948,8948,8948,8948,8948,8948,DB02727,2-butyl-1-hydroxyguanidine,DrugBank,drug,CCCC\N=C(/N)NO,DRUG_8948
8949,8949,8949,8949,8949,8949,8949,8949,DB03129,"Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium",DrugBank,drug,[H]N([H])C(N([H])[H])=[N+]([H])CCCOB1OCCO1,DRUG_8949
8950,8950,8950,8950,8950,8950,8950,8950,DB09483,Potassium lactate,DrugBank,drug,[K+].CC(O)C([O-])=O,DRUG_8950
8951,8951,8951,8951,8951,8951,8951,8951,DB01940,Balanol Analog 2,DrugBank,drug,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1O)NC(=O)C1=CC=C(O)C=C1,DRUG_8951
8952,8952,8952,8952,8952,8952,8952,8952,DB00307,Bexarotene,DrugBank,drug,CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C,DRUG_8952
8953,8953,8953,8953,8953,8953,8953,8953,DB05169,AT9283,DrugBank,drug,OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1,DRUG_8953
8954,8954,8954,8954,8954,8954,8954,8954,DB01430,Almitrine,DrugBank,drug,FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1,DRUG_8954
8955,8955,8955,8955,8955,8955,8955,8955,DB04197,Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine,DrugBank,drug,N\C(NO)=N/CCC[NH3+],DRUG_8955
8956,8956,8956,8956,8956,8956,8956,8956,DB00660,Metaxalone,DrugBank,drug,CC1=CC(OCC2CNC(=O)O2)=CC(C)=C1,DRUG_8956
8957,8957,8957,8957,8957,8957,8957,8957,DB07385,"3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE",DrugBank,drug,[H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O,DRUG_8957
8958,8958,8958,8958,8958,8958,8958,8958,DB12363,Dusigitumab,DrugBank,drug,,DRUG_8958
8959,8959,8959,8959,8959,8959,8959,8959,DB07333,"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE",DrugBank,drug,COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1,DRUG_8959
8960,8960,8960,8960,8960,8960,8960,8960,DB02143,1-hydroxy-2-isopropylguanidine,DrugBank,drug,CC(C)\N=C(/N)NO,DRUG_8960
8961,8961,8961,8961,8961,8961,8961,8961,DB14887,PF-04620110,DrugBank,drug,NC1=NC=NC2=C1C(=O)N(CCO2)C1=CC=C(C=C1)[C@H]1CC[C@H](CC(O)=O)CC1,DRUG_8961
8962,8962,8962,8962,8962,8962,8962,8962,DB09017,Brotizolam,DrugBank,drug,CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl,DRUG_8962
8963,8963,8963,8963,8963,8963,8963,8963,DB16190,Idursulfase beta,DrugBank,drug,,DRUG_8963
8964,8964,8964,8964,8964,8964,8964,8964,DB12590,Indiplon,DrugBank,drug,CN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1,DRUG_8964
8965,8965,8965,8965,8965,8965,8965,8965,DB08207,"2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE",DrugBank,drug,CC1=CC(=CC(C)=C1)C1=NC2=C(O1)C=CC=C2,DRUG_8965
8966,8966,8966,8966,8966,8966,8966,8966,DB15119,Ropeginterferon alfa-2b,DrugBank,drug,,DRUG_8966
8967,8967,8967,8967,8967,8967,8967,8967,DB12129,Tideglusib,DrugBank,drug,O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1,DRUG_8967
8968,8968,8968,8968,8968,8968,8968,8968,DB02848,"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol",DrugBank,drug,CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1,DRUG_8968
8969,8969,8969,8969,8969,8969,8969,8969,DB03726,Purine Riboside-5'-Monophosphate,DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_8969
8970,8970,8970,8970,8970,8970,8970,8970,DB07140,"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DrugBank,drug,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1,DRUG_8970
8971,8971,8971,8971,8971,8971,8971,8971,DB04681,BETA-METHYLLACTOSIDE,DrugBank,drug,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,DRUG_8971
8972,8972,8972,8972,8972,8972,8972,8972,DB11922,Danirixin,DrugBank,drug,CC1=C(NC(=O)NC2=CC=C(Cl)C(=C2O)S(=O)(=O)[C@H]2CCCNC2)C=CC=C1F,DRUG_8972
8973,8973,8973,8973,8973,8973,8973,8973,DB04697,TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE,DrugBank,drug,NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=O,DRUG_8973
8974,8974,8974,8974,8974,8974,8974,8974,DB11071,Phenyl salicylate,DrugBank,drug,OC1=CC=CC=C1C(=O)OC1=CC=CC=C1,DRUG_8974
8975,8975,8975,8975,8975,8975,8975,8975,DB08642,"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine",DrugBank,drug,COC1=CC(=CC(OC)=C1OC)N(C)C[C@H]1CCC2=C(C1)C(N)=N[C@H](N)N2,DRUG_8975
8976,8976,8976,8976,8976,8976,8976,8976,DB06258,Bimoclomol,DrugBank,drug,OC(CO\N=C(/Cl)C1=CN=CC=C1)CN1CCCCC1,DRUG_8976
8977,8977,8977,8977,8977,8977,8977,8977,DB13466,Deptropine,DrugBank,drug,CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1C2=CC=CC=C2CCC2=C1C=CC=C2,DRUG_8977
8978,8978,8978,8978,8978,8978,8978,8978,DB04297,Trichostatin A,DrugBank,drug,C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C,DRUG_8978
8979,8979,8979,8979,8979,8979,8979,8979,DB00819,Acetazolamide,DrugBank,drug,CC(=O)NC1=NN=C(S1)S(N)(=O)=O,DRUG_8979
8980,8980,8980,8980,8980,8980,8980,8980,DB13153,Levomenol,DrugBank,drug,[H][C@@]1(CCC(C)=CC1)[C@@](C)(O)CCC=C(C)C,DRUG_8980
8981,8981,8981,8981,8981,8981,8981,8981,DB13619,Bornaprine,DrugBank,drug,CCN(CC)CCCOC(=O)C1(C[C@@H]2CC[C@H]1C2)C1=CC=CC=C1,DRUG_8981
8982,8982,8982,8982,8982,8982,8982,8982,DB16107,BI 2536,DrugBank,drug,CC[C@H]1N(C2CCCC2)C2=NC(NC3=CC=C(C=C3OC)C(=O)NC3CCN(C)CC3)=NC=C2N(C)C1=O,DRUG_8982
8983,8983,8983,8983,8983,8983,8983,8983,DB14027,Taspoglutide,DrugBank,drug,CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O,DRUG_8983
8984,8984,8984,8984,8984,8984,8984,8984,DB04608,"9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE",DrugBank,drug,OC1=CC2=C(NC3=CC(=C4C(=O)NC(=O)C4=C23)C2=CC=CC=C2)C=C1,DRUG_8984
8985,8985,8985,8985,8985,8985,8985,8985,DB01727,Isocitric Acid,DrugBank,drug,O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,DRUG_8985
8986,8986,8986,8986,8986,8986,8986,8986,DB00942,Cycrimine,DrugBank,drug,OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1,DRUG_8986
8987,8987,8987,8987,8987,8987,8987,8987,DB13308,Oxametacin,DrugBank,drug,COC1=CC=C2N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C(CC(=O)NO)C2=C1,DRUG_8987
8988,8988,8988,8988,8988,8988,8988,8988,DB07069,m-Hydroxyhippuric acid,DrugBank,drug,OC(=O)CNC(=O)C1=CC(O)=CC=C1,DRUG_8988
8989,8989,8989,8989,8989,8989,8989,8989,DB00590,Doxazosin,DrugBank,drug,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1,DRUG_8989
8990,8990,8990,8990,8990,8990,8990,8990,DB07181,"4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide",DrugBank,drug,[H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O,DRUG_8990
8991,8991,8991,8991,8991,8991,8991,8991,DB00100,Coagulation Factor IX (Recombinant),DrugBank,drug,,DRUG_8991
8992,8992,8992,8992,8992,8992,8992,8992,DB13673,Bekanamycin,DrugBank,drug,[H][C@]1(N)C[C@@]([H])(N)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(N)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O[C@@]1([H])O[C@]([H])(CN)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N,DRUG_8992
8993,8993,8993,8993,8993,8993,8993,8993,DB11844,Pritelivir,DrugBank,drug,CN(C(=O)CC1=CC=C(C=C1)C1=CC=CC=N1)C1=NC(C)=C(S1)S(N)(=O)=O,DRUG_8993
8994,8994,8994,8994,8994,8994,8994,8994,DB05147,CYT997,DrugBank,drug,,DRUG_8994
8995,8995,8995,8995,8995,8995,8995,8995,DB14048,Sodium zirconium cyclosilicate,DrugBank,drug,[Na+].[Na+].[Zr].[O-][Si]1([O-])O[Si]([O-])([O-])O[Si]([O-])([O-])O1,DRUG_8995
8996,8996,8996,8996,8996,8996,8996,8996,DB14144,p-Aminophenol,DrugBank,drug,NC1=CC=C(O)C=C1,DRUG_8996
8997,8997,8997,8997,8997,8997,8997,8997,DB01750,1-naphthaleneacetic acid,DrugBank,drug,OC(=O)CC1=C2C=CC=CC2=CC=C1,DRUG_8997
8998,8998,8998,8998,8998,8998,8998,8998,DB14003,alpha-Tocopherol acetate,DrugBank,drug,,DRUG_8998
8999,8999,8999,8999,8999,8999,8999,8999,DB07217,"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide",DrugBank,drug,FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1,DRUG_8999
9000,9000,9000,9000,9000,9000,9000,9000,DB15898,Atoltivimab,DrugBank,drug,,DRUG_9000
9001,9001,9001,9001,9001,9001,9001,9001,DB13252,Tropatepine,DrugBank,drug,CN1[C@H]2CC[C@@H]1CC(C2)=C1C2=CC=CC=C2CSC2=C1C=CC=C2,DRUG_9001
9002,9002,9002,9002,9002,9002,9002,9002,DB08590,1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE,DrugBank,drug,CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1,DRUG_9002
9003,9003,9003,9003,9003,9003,9003,9003,DB05105,Pleconaril,DrugBank,drug,CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1,DRUG_9003
9004,9004,9004,9004,9004,9004,9004,9004,DB12250,Cixutumumab,DrugBank,drug,,DRUG_9004
9005,9005,9005,9005,9005,9005,9005,9005,DB00442,Entecavir,DrugBank,drug,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C,DRUG_9005
9006,9006,9006,9006,9006,9006,9006,9006,DB04172,"[2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine",DrugBank,drug,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)C(=O)CCN,DRUG_9006
9007,9007,9007,9007,9007,9007,9007,9007,DB06460,Enrasentan,DrugBank,drug,CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1,DRUG_9007
9008,9008,9008,9008,9008,9008,9008,9008,DB02678,beta-D-Galactosamine,DrugBank,drug,N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,DRUG_9008
9009,9009,9009,9009,9009,9009,9009,9009,DB01428,Oxybenzone,DrugBank,drug,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,DRUG_9009
9010,9010,9010,9010,9010,9010,9010,9010,DB11193,Papain,DrugBank,drug,,DRUG_9010
9011,9011,9011,9011,9011,9011,9011,9011,DB13284,Meticrane,DrugBank,drug,CC1=CC2=C(C=C1S(N)(=O)=O)S(=O)(=O)CCC2,DRUG_9011
9012,9012,9012,9012,9012,9012,9012,9012,DB11397,Dichlorvos,DrugBank,drug,COP(=O)(OC)OC=C(Cl)Cl,DRUG_9012
9013,9013,9013,9013,9013,9013,9013,9013,DB01954,Rolipram,DrugBank,drug,COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1,DRUG_9013
9014,9014,9014,9014,9014,9014,9014,9014,DB19191,Valiltramiprosate,DrugBank,drug,CC(C)[C@H](N)C(=O)NCCCS(O)(=O)=O,DRUG_9014
9015,9015,9015,9015,9015,9015,9015,9015,DB11155,Triclocarban,DrugBank,drug,ClC1=CC=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C1,DRUG_9015
9016,9016,9016,9016,9016,9016,9016,9016,DB06391,T611,DrugBank,drug,OS(=O)(=O)C1=CC=CC=C1.[H][C@]1(C)COCCN1C1=NC(C)=C(C(=N1)N1C=CN=C1)N(=O)=O,DRUG_9016
9017,9017,9017,9017,9017,9017,9017,9017,DB00767,Benzquinamide,DrugBank,drug,CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O,DRUG_9017
9018,9018,9018,9018,9018,9018,9018,9018,DB06325,Pegpleranib,DrugBank,drug,,DRUG_9018
9019,9019,9019,9019,9019,9019,9019,9019,DB07675,(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID,DrugBank,drug,[H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O,DRUG_9019
9020,9020,9020,9020,9020,9020,9020,9020,DB09265,Lixisenatide,DrugBank,drug,,DRUG_9020
9021,9021,9021,9021,9021,9021,9021,9021,DB03379,2-Carboxyethylphosphonic Acid,DrugBank,drug,OC(=O)CCP(O)(O)=O,DRUG_9021
9022,9022,9022,9022,9022,9022,9022,9022,DB01169,Arsenic trioxide,DrugBank,drug,O=[As]O[As]=O,DRUG_9022
9023,9023,9023,9023,9023,9023,9023,9023,DB01289,Glisoxepide,DrugBank,drug,CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,DRUG_9023
9024,9024,9024,9024,9024,9024,9024,9024,DB02699,4-Oxoretinol,DrugBank,drug,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C,DRUG_9024
9025,9025,9025,9025,9025,9025,9025,9025,DB14007,Pentetic acid,DrugBank,drug,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,DRUG_9025
9026,9026,9026,9026,9026,9026,9026,9026,DB10717,Secale cereale pollen,DrugBank,drug,,DRUG_9026
9027,9027,9027,9027,9027,9027,9027,9027,DB04812,Benoxaprofen,DrugBank,drug,CC(C(O)=O)C1=CC2=C(OC(=N2)C2=CC=C(Cl)C=C2)C=C1,DRUG_9027
9028,9028,9028,9028,9028,9028,9028,9028,DB07719,"[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",DrugBank,drug,[H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O,DRUG_9028
9029,9029,9029,9029,9029,9029,9029,9029,DB11920,Lesogaberan,DrugBank,drug,NC[C@@H](F)CP(O)=O,DRUG_9029
9030,9030,9030,9030,9030,9030,9030,9030,DB16244,MK-0773,DrugBank,drug,[H][C@@]12CC[C@H](C(=O)NCC3=NC4=C(N3)C=CC=N4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C(F)=C[C@]12C,DRUG_9030
9031,9031,9031,9031,9031,9031,9031,9031,DB03929,D-Serine,DrugBank,drug,N[C@H](CO)C(O)=O,DRUG_9031
9032,9032,9032,9032,9032,9032,9032,9032,DB07267,2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine,DrugBank,drug,CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1,DRUG_9032
9033,9033,9033,9033,9033,9033,9033,9033,DB04716,"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one",DrugBank,drug,CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1,DRUG_9033
9034,9034,9034,9034,9034,9034,9034,9034,DB11616,Pirarubicin,DrugBank,drug,[H][C@]1(N)C[C@]([H])(O[C@@]2([H])C[C@@](O)(CC3=C(O)C4=C(C(O)=C23)C(=O)C2=C(C=CC=C2OC)C4=O)C(=O)CO)O[C@@]([H])(C)[C@@]1([H])O[C@]1([H])CCCCO1,DRUG_9034
9035,9035,9035,9035,9035,9035,9035,9035,DB05968,PR-104,DrugBank,drug,CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCOP(O)(O)=O,DRUG_9035
9036,9036,9036,9036,9036,9036,9036,9036,DB03086,"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide",DrugBank,drug,[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1,DRUG_9036
9037,9037,9037,9037,9037,9037,9037,9037,DB13776,Ibacitabine,DrugBank,drug,NC1=NC(=O)N(C=C1I)[C@H]1C[C@H](O)[C@@H](CO)O1,DRUG_9037
9038,9038,9038,9038,9038,9038,9038,9038,DB02910,Octanoyl-Coenzyme A,DrugBank,drug,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,DRUG_9038
9039,9039,9039,9039,9039,9039,9039,9039,DB00459,Acitretin,DrugBank,drug,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1,DRUG_9039
9040,9040,9040,9040,9040,9040,9040,9040,DB16148,Ecraprost,DrugBank,drug,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(OC(=O)CCC)=C1CCCCCCC(=O)OCCCC,DRUG_9040
9041,9041,9041,9041,9041,9041,9041,9041,DB00049,Rasburicase,DrugBank,drug,,DRUG_9041
9042,9042,9042,9042,9042,9042,9042,9042,DB03782,N-(1-adamantyl)-N'-(4-guanidinobenzyl)urea,DrugBank,drug,NC(N)=NC1=CC=C(CNC(=O)NC23CC4CC(CC(C4)C2)C3)C=C1,DRUG_9042
9043,9043,9043,9043,9043,9043,9043,9043,DB08388,"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE",DrugBank,drug,CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O,DRUG_9043
9044,9044,9044,9044,9044,9044,9044,9044,DB04744,Lawsone,DrugBank,drug,OC1=CC(=O)C2=CC=CC=C2C1=O,DRUG_9044
9045,9045,9045,9045,9045,9045,9045,9045,DB13069,Nimustine,DrugBank,drug,CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1,DRUG_9045
9046,9046,9046,9046,9046,9046,9046,9046,DB01625,Isopropamide,DrugBank,drug,CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C,DRUG_9046
9047,9047,9047,9047,9047,9047,9047,9047,DB11607,Efmoroctocog alfa,DrugBank,drug,,DRUG_9047
9048,9048,9048,9048,9048,9048,9048,9048,DB12598,Nafamostat,DrugBank,drug,NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N,DRUG_9048
9049,9049,9049,9049,9049,9049,9049,9049,DB06224,Alicaforsen,DrugBank,drug,,DRUG_9049
9050,9050,9050,9050,9050,9050,9050,9050,DB00400,Griseofulvin,DrugBank,drug,COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC,DRUG_9050
9051,9051,9051,9051,9051,9051,9051,9051,DB14211,Fanolesomab,DrugBank,drug,,DRUG_9051
9052,9052,9052,9052,9052,9052,9052,9052,DB07701,"1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE",DrugBank,drug,[H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O,DRUG_9052
9053,9053,9053,9053,9053,9053,9053,9053,DB16405,Regdanvimab,DrugBank,drug,,DRUG_9053
9054,9054,9054,9054,9054,9054,9054,9054,DB13985,Lutetium Lu 177 dotatate,DrugBank,drug,[177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,DRUG_9054
9055,9055,9055,9055,9055,9055,9055,9055,DB15165,Avacincaptad pegol,DrugBank,drug,,DRUG_9055
9056,9056,9056,9056,9056,9056,9056,9056,DB11377,Bambermycins,DrugBank,drug,C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](OP(O)(=O)OC[C@@H](O)C(=O)OCC\C=C(/C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)O[C@H](C(O)=O)[C@@](C)(O)[C@@H]3OC(N)=O)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O,DRUG_9056
9057,9057,9057,9057,9057,9057,9057,9057,DB00423,Methocarbamol,DrugBank,drug,COC1=C(OCC(O)COC(N)=O)C=CC=C1,DRUG_9057
9058,9058,9058,9058,9058,9058,9058,9058,DB02597,"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala",DrugBank,drug,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O,DRUG_9058
9059,9059,9059,9059,9059,9059,9059,9059,DB02016,R048-8071,DrugBank,drug,CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C,DRUG_9059
9060,9060,9060,9060,9060,9060,9060,9060,DB12102,Fulranumab,DrugBank,drug,,DRUG_9060
9061,9061,9061,9061,9061,9061,9061,9061,DB01667,8-azaguanine,DrugBank,drug,NC1=NC2=C(N=NN2)C(=O)N1,DRUG_9061
9062,9062,9062,9062,9062,9062,9062,9062,DB12830,Cebranopadol,DrugBank,drug,CN(C)[C@]1(CC[C@@]2(CC1)OCCC1=C2NC2=CC=C(F)C=C12)C1=CC=CC=C1,DRUG_9062
9063,9063,9063,9063,9063,9063,9063,9063,DB10794,Influenza B virus B/Brisbane/60/2008 antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_9063
9064,9064,9064,9064,9064,9064,9064,9064,DB02109,Hadacidin,DrugBank,drug,ON(CC(O)=O)C=O,DRUG_9064
9065,9065,9065,9065,9065,9065,9065,9065,DB12549,Pyrazoloacridine,DrugBank,drug,COC1=CC=C2NC3=C4C(=CC=C3[N+]([O-])=O)N(CCCN(C)C)N=C4C2=C1,DRUG_9065
9066,9066,9066,9066,9066,9066,9066,9066,DB08467,"6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID",DrugBank,drug,O=C(O)\C=C(/C)\C=C\C[C@]1(C)CC2=C(CCCC2(C)C)C1=C,DRUG_9066
9067,9067,9067,9067,9067,9067,9067,9067,DB13848,Fluorodopa (18F),DrugBank,drug,N[C@@H](CC1=CC(O)=C(O)C=C1[18F])C(O)=O,DRUG_9067
9068,9068,9068,9068,9068,9068,9068,9068,DB00316,Acetaminophen,DrugBank,drug,CC(=O)NC1=CC=C(O)C=C1,DRUG_9068
9069,9069,9069,9069,9069,9069,9069,9069,DB16221,Lonaprisan,DrugBank,drug,[H][C@@]12CC[C@@](O)(C(F)(F)C(F)(F)F)[C@@]1(C)C[C@H](C1=CC=C(C=C1)C(C)=O)C1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_9069
9070,9070,9070,9070,9070,9070,9070,9070,DB15581,Chrysin,DrugBank,drug,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1,DRUG_9070
9071,9071,9071,9071,9071,9071,9071,9071,DB02840,"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid",DrugBank,drug,CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1,DRUG_9071
9072,9072,9072,9072,9072,9072,9072,9072,DB02519,Indirubin-5-sulphonate,DrugBank,drug,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(O)(=O)=O)=C1/N([H])C2=CC=CC=C2C1=O,DRUG_9072
9073,9073,9073,9073,9073,9073,9073,9073,DB02098,Adenosine-2'-5'-Diphosphate,DrugBank,drug,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,DRUG_9073
9074,9074,9074,9074,9074,9074,9074,9074,DB09112,Nitrous acid,DrugBank,drug,ON=O,DRUG_9074
9075,9075,9075,9075,9075,9075,9075,9075,DB15135,Ponezumab,DrugBank,drug,,DRUG_9075
9076,9076,9076,9076,9076,9076,9076,9076,DB07479,"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL",DrugBank,drug,[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O,DRUG_9076
9077,9077,9077,9077,9077,9077,9077,9077,DB16007,Rurioctocog alfa pegol,DrugBank,drug,,DRUG_9077
9078,9078,9078,9078,9078,9078,9078,9078,DB08879,Belimumab,DrugBank,drug,,DRUG_9078
9079,9079,9079,9079,9079,9079,9079,9079,DB03589,Mesoxalic acid,DrugBank,drug,OC(=O)C(=O)C(O)=O,DRUG_9079
9080,9080,9080,9080,9080,9080,9080,9080,DB08304,"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",DrugBank,drug,[H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1,DRUG_9080
9081,9081,9081,9081,9081,9081,9081,9081,DB13775,Tertatolol,DrugBank,drug,CC(C)(C)NCC(O)COC1=CC=CC2=C1SCCC2,DRUG_9081
9082,9082,9082,9082,9082,9082,9082,9082,DB13643,Loprazolam,DrugBank,drug,[H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O,DRUG_9082
9083,9083,9083,9083,9083,9083,9083,9083,DB01106,Levocabastine,DrugBank,drug,C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1,DRUG_9083
9084,9084,9084,9084,9084,9084,9084,9084,DB11417,Gleptoferron,DrugBank,drug,[Fe+].OO.[H]C(O)(CO[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)C([H])(O)C([H])(O)C([H])(O)C([H])(O)C([O-])=O,DRUG_9084
9085,9085,9085,9085,9085,9085,9085,9085,DB02615,Compound 19,DrugBank,drug,[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,DRUG_9085
9086,9086,9086,9086,9086,9086,9086,9086,DB04962,Bectumomab,DrugBank,drug,,DRUG_9086
9087,9087,9087,9087,9087,9087,9087,9087,DB00869,Dorzolamide,DrugBank,drug,CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,DRUG_9087
9088,9088,9088,9088,9088,9088,9088,9088,DB01085,Pilocarpine,DrugBank,drug,CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O,DRUG_9088
9089,9089,9089,9089,9089,9089,9089,9089,DB08439,Parecoxib,DrugBank,drug,CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1,DRUG_9089
9090,9090,9090,9090,9090,9090,9090,9090,DB04487,N-Methylleucine,DrugBank,drug,CN[C@H](CC(C)C)C(O)=O,DRUG_9090
9091,9091,9091,9091,9091,9091,9091,9091,DB02709,Resveratrol,DrugBank,drug,OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1,DRUG_9091
9092,9092,9092,9092,9092,9092,9092,9092,DB13800,Calcium levulinate,DrugBank,drug,[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,DRUG_9092
9093,9093,9093,9093,9093,9093,9093,9093,DB04745,2-Hydroxyquinoline,DrugBank,drug,O=C1NC2=C(C=CC=C2)C=C1,DRUG_9093
9094,9094,9094,9094,9094,9094,9094,9094,DB19041,Elimusertib,DrugBank,drug,C[C@@H]1COCCN1C1=NC2=C(N=CC=C2C(=C1)C1=CC=NN1C)C1=CC=NN1,DRUG_9094
9095,9095,9095,9095,9095,9095,9095,9095,DB07775,"3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE",DrugBank,drug,OC1=CC(O)=C2C(=O)\C(OC2=C1)=C\C1=C(O)C(Br)=C(O)C(Br)=C1,DRUG_9095
9096,9096,9096,9096,9096,9096,9096,9096,DB09350,Piperonyl butoxide,DrugBank,drug,CCCCOCCOCCOCC1=CC2=C(OCO2)C=C1CCC,DRUG_9096
9097,9097,9097,9097,9097,9097,9097,9097,DB13977,Potassium carbonate,DrugBank,drug,[K+].[K+].[O-]C([O-])=O,DRUG_9097
9098,9098,9098,9098,9098,9098,9098,9098,DB12455,Omadacycline,DrugBank,drug,[H][C@@]12CC3=C(C=C(CNCC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C,DRUG_9098
9099,9099,9099,9099,9099,9099,9099,9099,DB16036,ABX-1431,DrugBank,drug,FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F,DRUG_9099
9100,9100,9100,9100,9100,9100,9100,9100,DB02689,S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine,DrugBank,drug,[H][C@](N)(CSCCS(N)(=O)=O)C(O)=O,DRUG_9100
9101,9101,9101,9101,9101,9101,9101,9101,DB11410,Fenbendazole,DrugBank,drug,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=CC=C1)=C2,DRUG_9101
9102,9102,9102,9102,9102,9102,9102,9102,DB12691,UK-432097,DrugBank,drug,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2NCC(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCNC(=O)NC1CCN(CC1)C1=NC=CC=C1,DRUG_9102
9103,9103,9103,9103,9103,9103,9103,9103,DB06181,EMD-1201081,DrugBank,drug,,DRUG_9103
9104,9104,9104,9104,9104,9104,9104,9104,DB05712,AZD-9684,DrugBank,drug,,DRUG_9104
9105,9105,9105,9105,9105,9105,9105,9105,DB08200,(1R)-menthyl hexyl phosphonate group,DrugBank,drug,CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,DRUG_9105
9106,9106,9106,9106,9106,9106,9106,9106,DB12797,Ecromeximab,DrugBank,drug,,DRUG_9106
9107,9107,9107,9107,9107,9107,9107,9107,DB14943,LGH-447,DrugBank,drug,C[C@@H]1C[C@H](N)C[C@@H](C1)C1=C(NC(=O)C2=NC(=C(F)C=C2)C2=C(F)C=CC=C2F)C=NC=C1,DRUG_9107
9108,9108,9108,9108,9108,9108,9108,9108,DB08838,Agmatine,DrugBank,drug,NCCCCNC(N)=N,DRUG_9108
9109,9109,9109,9109,9109,9109,9109,9109,DB07477,Felbinac,DrugBank,drug,OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1,DRUG_9109
9110,9110,9110,9110,9110,9110,9110,9110,DB03185,"1-Beta-Ribofuranosyl-1,3-Diazepinone",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O,DRUG_9110
9111,9111,9111,9111,9111,9111,9111,9111,DB06550,Bivatuzumab,DrugBank,drug,,DRUG_9111
9112,9112,9112,9112,9112,9112,9112,9112,DB03879,alpha-L-methyl-fucose,DrugBank,drug,CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,DRUG_9112
9113,9113,9113,9113,9113,9113,9113,9113,DB04434,Naphthyridine Inhibitor,DrugBank,drug,CC1=CC=CC(=N1)C1=C(CNN1)C1=CC=C2N=CC=CC2=N1,DRUG_9113
9114,9114,9114,9114,9114,9114,9114,9114,DB03808,Hexamidine,DrugBank,drug,NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,DRUG_9114
9115,9115,9115,9115,9115,9115,9115,9115,DB00043,Omalizumab,DrugBank,drug,,DRUG_9115
9116,9116,9116,9116,9116,9116,9116,9116,DB06445,Diethylnorspermine,DrugBank,drug,CCNCCCNCCCNCCCNCC,DRUG_9116
9117,9117,9117,9117,9117,9117,9117,9117,DB03982,"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid",DrugBank,drug,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2,DRUG_9117
9118,9118,9118,9118,9118,9118,9118,9118,DB03959,"N,O6-Disulfo-Glucosamine",DrugBank,drug,[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O,DRUG_9118
9119,9119,9119,9119,9119,9119,9119,9119,DB11886,Infigratinib,DrugBank,drug,CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1,DRUG_9119
9120,9120,9120,9120,9120,9120,9120,9120,DB04680,GALACTOSE GREASE,DrugBank,drug,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCCC(=O)OC)[C@]1([H])O,DRUG_9120
9121,9121,9121,9121,9121,9121,9121,9121,DB13538,Guacetisal,DrugBank,drug,COC1=CC=CC=C1OC(=O)C1=CC=CC=C1OC(C)=O,DRUG_9121
9122,9122,9122,9122,9122,9122,9122,9122,DB04299,Maleic acid,DrugBank,drug,OC(=O)\C=C/C(O)=O,DRUG_9122
9123,9123,9123,9123,9123,9123,9123,9123,DB09324,Sulbactam,DrugBank,drug,[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O,DRUG_9123
9124,9124,9124,9124,9124,9124,9124,9124,DB01593,Zinc,DrugBank,drug,[Zn],DRUG_9124
9125,9125,9125,9125,9125,9125,9125,9125,DB08402,"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID",DrugBank,drug,OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1,DRUG_9125
9126,9126,9126,9126,9126,9126,9126,9126,DB07833,"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide",DrugBank,drug,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N,DRUG_9126
9127,9127,9127,9127,9127,9127,9127,9127,DB07681,DODECANESULFONATE ION,DrugBank,drug,CCCCCCCCCCCCS([O-])(=O)=O,DRUG_9127
9128,9128,9128,9128,9128,9128,9128,9128,DB09148,Florbetaben F-18,DrugBank,drug,CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1,DRUG_9128
9129,9129,9129,9129,9129,9129,9129,9129,DB12489,Mirvetuximab soravtansine,DrugBank,drug,,DRUG_9129
9130,9130,9130,9130,9130,9130,9130,9130,DB09072,Sodium oxybate,DrugBank,drug,[Na+].OCCCC([O-])=O,DRUG_9130
9131,9131,9131,9131,9131,9131,9131,9131,DB03880,Batimastat,DrugBank,drug,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC,DRUG_9131
9132,9132,9132,9132,9132,9132,9132,9132,DB03552,3-Tyrosine,DrugBank,drug,N[C@@H](CC1=CC=CC(O)=C1)C(O)=O,DRUG_9132
9133,9133,9133,9133,9133,9133,9133,9133,DB14500,Potassium,DrugBank,drug,[KH],DRUG_9133
9134,9134,9134,9134,9134,9134,9134,9134,DB00139,Succinic acid,DrugBank,drug,OC(=O)CCC(O)=O,DRUG_9134
9135,9135,9135,9135,9135,9135,9135,9135,DB02901,Stanolone,DrugBank,drug,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,DRUG_9135
9136,9136,9136,9136,9136,9136,9136,9136,DB14538,Hydrocortisone aceponate,DrugBank,drug,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,DRUG_9136
9137,9137,9137,9137,9137,9137,9137,9137,DB08818,Hyaluronic acid,DrugBank,drug,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,DRUG_9137
9138,9138,9138,9138,9138,9138,9138,9138,DB12286,Simendan,DrugBank,drug,CC1CC(O)=NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,DRUG_9138
9139,9139,9139,9139,9139,9139,9139,9139,DB05253,Telapristone acetate,DrugBank,drug,[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],DRUG_9139
9140,9140,9140,9140,9140,9140,9140,9140,DB12559,EC-17,DrugBank,drug,NC(=O)CC[C@H](N(CCNC(=S)NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2)C(=O)C1=CC=C(NCC2=CN=C3N=C(N)NC(=O)C3=N2)C=C1)C(O)=O,DRUG_9140
9141,9141,9141,9141,9141,9141,9141,9141,DB14509,Lithium carbonate,DrugBank,drug,[Li+].[Li+].[O-]C([O-])=O,DRUG_9141
9142,9142,9142,9142,9142,9142,9142,9142,DB00849,Methylphenobarbital,DrugBank,drug,CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1,DRUG_9142
9143,9143,9143,9143,9143,9143,9143,9143,DB11217,Arbutin,DrugBank,drug,OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_9143
9144,9144,9144,9144,9144,9144,9144,9144,DB01549,Rolicyclidine,DrugBank,drug,C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1,DRUG_9144
9145,9145,9145,9145,9145,9145,9145,9145,DB05496,Otelixizumab,DrugBank,drug,,DRUG_9145
9146,9146,9146,9146,9146,9146,9146,9146,DB01103,Quinacrine,DrugBank,drug,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2,DRUG_9146
9147,9147,9147,9147,9147,9147,9147,9147,DB15332,Radavirsen,DrugBank,drug,,DRUG_9147
9148,9148,9148,9148,9148,9148,9148,9148,DB01433,Methadyl acetate,DrugBank,drug,CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,DRUG_9148
9149,9149,9149,9149,9149,9149,9149,9149,DB06127,Bisegliptin,DrugBank,drug,[H][C@@]1(F)CN(C(=O)CNC23CCC(CC2)(CC3)C(=O)OCC)[C@@]([H])(C1)C#N,DRUG_9149
9150,9150,9150,9150,9150,9150,9150,9150,DB06795,Mafenide,DrugBank,drug,NCC1=CC=C(C=C1)S(N)(=O)=O,DRUG_9150
9151,9151,9151,9151,9151,9151,9151,9151,DB09018,Bromopride,DrugBank,drug,CCN(CC)CCNC(=O)C1=CC(Br)=C(N)C=C1OC,DRUG_9151
9152,9152,9152,9152,9152,9152,9152,9152,DB04756,"2-[(3,5-Dichloro-4-trioxidanylphenyl)amino]benzoic acid",DrugBank,drug,OOOC1=C(Cl)C=C(NC2=CC=CC=C2C(O)=O)C=C1Cl,DRUG_9152
9153,9153,9153,9153,9153,9153,9153,9153,DB04615,(S)-tacrine(10)-hupyridone,DrugBank,drug,O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,DRUG_9153
9154,9154,9154,9154,9154,9154,9154,9154,DB02825,Methylphosphinate,DrugBank,drug,CP([O-])=O,DRUG_9154
9155,9155,9155,9155,9155,9155,9155,9155,DB00273,Topiramate,DrugBank,drug,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2,DRUG_9155
9156,9156,9156,9156,9156,9156,9156,9156,DB00823,Ethynodiol diacetate,DrugBank,drug,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H],DRUG_9156
9157,9157,9157,9157,9157,9157,9157,9157,DB12808,Trifarotene,DrugBank,drug,CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O,DRUG_9157
9158,9158,9158,9158,9158,9158,9158,9158,DB04137,Guanosine-5'-Triphosphate,DrugBank,drug,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,DRUG_9158
9159,9159,9159,9159,9159,9159,9159,9159,DB01759,Kojic acid,DrugBank,drug,OCC1=CC(=O)C(O)=CO1,DRUG_9159
9160,9160,9160,9160,9160,9160,9160,9160,DB03267,1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,DrugBank,drug,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC=C)C1=O,DRUG_9160
9161,9161,9161,9161,9161,9161,9161,9161,DB13407,Nifenazone,DrugBank,drug,CN1N(C(=O)C(NC(=O)C2=CC=CN=C2)=C1C)C1=CC=CC=C1,DRUG_9161
9162,9162,9162,9162,9162,9162,9162,9162,DB07646,"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE",DrugBank,drug,CCCCCCCCCCC[N+](C)(C)[O-],DRUG_9162
9163,9163,9163,9163,9163,9163,9163,9163,DB01186,Pergolide,DrugBank,drug,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC,DRUG_9163
9164,9164,9164,9164,9164,9164,9164,9164,DB09020,Bisacodyl,DrugBank,drug,CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1,DRUG_9164
9165,9165,9165,9165,9165,9165,9165,9165,DB13310,Ormeloxifene,DrugBank,drug,[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2,DRUG_9165
9166,9166,9166,9166,9166,9166,9166,9166,DB02979,"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane",DrugBank,drug,CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC,DRUG_9166
9167,9167,9167,9167,9167,9167,9167,9167,DB04636,Glutamine t-butyl ester,DrugBank,drug,CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O,DRUG_9167
9168,9168,9168,9168,9168,9168,9168,9168,DB07045,"(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",DrugBank,drug,[H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,DRUG_9168
9169,9169,9169,9169,9169,9169,9169,9169,DB11947,Pridopidine,DrugBank,drug,CCCN1CCC(CC1)C1=CC=CC(=C1)S(C)(=O)=O,DRUG_9169
9170,9170,9170,9170,9170,9170,9170,9170,DB11680,Ficlatuzumab,DrugBank,drug,,DRUG_9170
9171,9171,9171,9171,9171,9171,9171,9171,DB00885,Pemirolast,DrugBank,drug,CC1=CC=CN2C(=O)C(=CN=C12)C1=NNN=N1,DRUG_9171
9172,9172,9172,9172,9172,9172,9172,9172,DB03848,Benzenesulfinic acid,DrugBank,drug,O[S@@](=O)C1=CC=CC=C1,DRUG_9172
9173,9173,9173,9173,9173,9173,9173,9173,DB03468,"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide",DrugBank,drug,NS(=O)(=O)C1=CC2=C(CCNC2)C=C1,DRUG_9173
9174,9174,9174,9174,9174,9174,9174,9174,DB03203,Sphingosine,DrugBank,drug,[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])(N)CO,DRUG_9174
9175,9175,9175,9175,9175,9175,9175,9175,DB00041,Aldesleukin,DrugBank,drug,,DRUG_9175
9176,9176,9176,9176,9176,9176,9176,9176,DB12121,Entospletinib,DrugBank,drug,C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1,DRUG_9176
9177,9177,9177,9177,9177,9177,9177,9177,DB01884,2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One,DrugBank,drug,[H][C@](N)(C(C)C)C(=O)N1CCCC1,DRUG_9177
9178,9178,9178,9178,9178,9178,9178,9178,DB15765,Sintilimab,DrugBank,drug,,DRUG_9178
9179,9179,9179,9179,9179,9179,9179,9179,DB13149,Protein S human,DrugBank,drug,,DRUG_9179
9180,9180,9180,9180,9180,9180,9180,9180,DB17059,TW-37,DrugBank,drug,CC(C)C1=CC=CC=C1CC1=C(O)C(O)=C(O)C(=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1C(C)(C)C,DRUG_9180
9181,9181,9181,9181,9181,9181,9181,9181,DB01219,Dantrolene,DrugBank,drug,[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,DRUG_9181
9182,9182,9182,9182,9182,9182,9182,9182,DB00476,Duloxetine,DrugBank,drug,CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1,DRUG_9182
9183,9183,9183,9183,9183,9183,9183,9183,DB08815,Lurasidone,DrugBank,drug,[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,DRUG_9183
9184,9184,9184,9184,9184,9184,9184,9184,DB07348,Brefeldin A,DrugBank,drug,[H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1,DRUG_9184
9185,9185,9185,9185,9185,9185,9185,9185,DB11580,Ravulizumab,DrugBank,drug,,DRUG_9185
9186,9186,9186,9186,9186,9186,9186,9186,DB12774,AZD-8055,DrugBank,drug,COC1=CC=C(C=C1CO)C1=CC=C2C(=N1)N=C(N=C2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C,DRUG_9186
9187,9187,9187,9187,9187,9187,9187,9187,DB06743,Ginkgolide A,DrugBank,drug,C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O,DRUG_9187
9188,9188,9188,9188,9188,9188,9188,9188,DB06662,Abetimus,DrugBank,drug,,DRUG_9188
9189,9189,9189,9189,9189,9189,9189,9189,DB12291,Tacedinaline,DrugBank,drug,CC(=O)NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N,DRUG_9189
9190,9190,9190,9190,9190,9190,9190,9190,DB02679,Cyanamide,DrugBank,drug,NC#N,DRUG_9190
9191,9191,9191,9191,9191,9191,9191,9191,DB02623,Aminophosphonic acid-guanylate ester,DrugBank,drug,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O,DRUG_9191
9192,9192,9192,9192,9192,9192,9192,9192,DB05849,NCX 950,DrugBank,drug,,DRUG_9192
9193,9193,9193,9193,9193,9193,9193,9193,DB01996,3-Methylpyridine,DrugBank,drug,CC1=CC=CN=C1,DRUG_9193
9194,9194,9194,9194,9194,9194,9194,9194,DB14580,Lecanemab,DrugBank,drug,,DRUG_9194
9195,9195,9195,9195,9195,9195,9195,9195,DB04998,AGRO100,DrugBank,drug,,DRUG_9195
9196,9196,9196,9196,9196,9196,9196,9196,DB01777,CoA-S-trimethylene-acetyl-tryptamine,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCCCCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,DRUG_9196
9197,9197,9197,9197,9197,9197,9197,9197,DB07744,Z-Val-Ala-Asp fluoromethyl ketone,DrugBank,drug,CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF,DRUG_9197
9198,9198,9198,9198,9198,9198,9198,9198,DB14049,Nitrate,DrugBank,drug,[O-]N(=O)=O,DRUG_9198
9199,9199,9199,9199,9199,9199,9199,9199,DB08517,Sakuranetin,DrugBank,drug,COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1,DRUG_9199
9200,9200,9200,9200,9200,9200,9200,9200,DB13820,Oxomemazine,DrugBank,drug,CC(CN(C)C)CN1C2=CC=CC=C2S(=O)(=O)C2=CC=CC=C12,DRUG_9200
9201,9201,9201,9201,9201,9201,9201,9201,DB08998,Demexiptiline,DrugBank,drug,CNCCON=C1C2=CC=CC=C2C=CC2=CC=CC=C12,DRUG_9201
9202,9202,9202,9202,9202,9202,9202,9202,DB11502,Butacaine,DrugBank,drug,CCCCN(CCCC)CCCOC(=O)C1=CC=C(N)C=C1,DRUG_9202
9203,9203,9203,9203,9203,9203,9203,9203,DB08958,Hexetidine,DrugBank,drug,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,DRUG_9203
9204,9204,9204,9204,9204,9204,9204,9204,DB07942,2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine,DrugBank,drug,FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1,DRUG_9204
9205,9205,9205,9205,9205,9205,9205,9205,DB12996,Acteoside,DrugBank,drug,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,DRUG_9205
9206,9206,9206,9206,9206,9206,9206,9206,DB08773,2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol,DrugBank,drug,OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2,DRUG_9206
9207,9207,9207,9207,9207,9207,9207,9207,DB08495,4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,DrugBank,drug,NC(=N)C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C=C1,DRUG_9207
9208,9208,9208,9208,9208,9208,9208,9208,DB07219,"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE",DrugBank,drug,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1,DRUG_9208
9209,9209,9209,9209,9209,9209,9209,9209,DB03167,Pentabromophenol,DrugBank,drug,OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br,DRUG_9209
9210,9210,9210,9210,9210,9210,9210,9210,DB03108,4-phospho-D-erythronic acid,DrugBank,drug,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C(O)=O,DRUG_9210
9211,9211,9211,9211,9211,9211,9211,9211,DB05076,Fenretinide,DrugBank,drug,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)NC1=CC=C(O)C=C1,DRUG_9211
9212,9212,9212,9212,9212,9212,9212,9212,DB04942,Tamibarotene,DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2,DRUG_9212
9213,9213,9213,9213,9213,9213,9213,9213,DB08083,"2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide",DrugBank,drug,NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1,DRUG_9213
9214,9214,9214,9214,9214,9214,9214,9214,DB13160,Alphaprodine,DrugBank,drug,CCC(=O)O[C@]1(CCN(C)C[C@H]1C)C1=CC=CC=C1,DRUG_9214
9215,9215,9215,9215,9215,9215,9215,9215,DB04891,Becocalcidiol,DrugBank,drug,CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1,DRUG_9215
9216,9216,9216,9216,9216,9216,9216,9216,DB05416,Cardarine,DrugBank,drug,CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F,DRUG_9216
9217,9217,9217,9217,9217,9217,9217,9217,DB18268,TAK-075 Free base,DrugBank,drug,CCC1=CC=C(C=C1)C(CC)(CC)NC(=O)C1=C2N[C@H](CC(C)(C)N2N=C1C)C1=CC=CC=C1,DRUG_9217
9218,9218,9218,9218,9218,9218,9218,9218,DB01601,Lopinavir,DrugBank,drug,CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1,DRUG_9218
9219,9219,9219,9219,9219,9219,9219,9219,DB08844,Uric acid,DrugBank,drug,O=C1NC2=C(N1)C(=O)NC(=O)N2,DRUG_9219
9220,9220,9220,9220,9220,9220,9220,9220,DB14930,Alovudine F-18,DrugBank,drug,CC1=CN([C@H]2C[C@H]([18F])[C@@H](CO)O2)C(=O)NC1=O,DRUG_9220
9221,9221,9221,9221,9221,9221,9221,9221,DB05653,IRX-5183,DrugBank,drug,CC1(C)CCC(C)(C)C2=C1C=C(C(=O)NC1=CC(F)=C(C(O)=O)C(F)=C1)C(O)=C2Cl,DRUG_9221
9222,9222,9222,9222,9222,9222,9222,9222,DB07666,"(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",DrugBank,drug,[H][C@]1(N)CN(C[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=CC(=NC=N1)C1=CC(=CC=C1)S(C)(=O)=O,DRUG_9222
9223,9223,9223,9223,9223,9223,9223,9223,DB13996,Magnesium acetate,DrugBank,drug,[Mg++].CC([O-])=O.CC([O-])=O,DRUG_9223
9224,9224,9224,9224,9224,9224,9224,9224,DB11699,Tropisetron,DrugBank,drug,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=CC=CC=C13)N2C,DRUG_9224
9225,9225,9225,9225,9225,9225,9225,9225,DB00099,Filgrastim,DrugBank,drug,,DRUG_9225
9226,9226,9226,9226,9226,9226,9226,9226,DB02985,8-iodo-guanine,DrugBank,drug,NC1=NC(=O)C2=C(N1)N=C(I)N2,DRUG_9226
9227,9227,9227,9227,9227,9227,9227,9227,DB06440,Ravuconazole,DrugBank,drug,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=CC=C(F)C=C1F,DRUG_9227
9228,9228,9228,9228,9228,9228,9228,9228,DB14987,Difamilast,DrugBank,drug,CCOC1=CC=CC=C1C(=O)NCC1=COC(=N1)C1=CC=C(OC(F)F)C(OC(C)C)=C1,DRUG_9228
9229,9229,9229,9229,9229,9229,9229,9229,DB11342,Aluminum oxide,DrugBank,drug,[O--].[O--].[O--].[Al+3].[Al+3],DRUG_9229
9230,9230,9230,9230,9230,9230,9230,9230,DB08079,AMG-208,DrugBank,drug,COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1,DRUG_9230
9231,9231,9231,9231,9231,9231,9231,9231,DB14478,Povidone K30,DrugBank,drug,,DRUG_9231
9232,9232,9232,9232,9232,9232,9232,9232,DB08285,"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol",DrugBank,drug,[H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C,DRUG_9232
9233,9233,9233,9233,9233,9233,9233,9233,DB12780,Quinfamide,DrugBank,drug,ClC(Cl)C(=O)N1CCCC2=CC(OC(=O)C3=CC=CO3)=CC=C12,DRUG_9233
9234,9234,9234,9234,9234,9234,9234,9234,DB13948,"N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine",DrugBank,drug,COC1=CC(C#N)=C(OC)C=C1CCNCC1=C(O)C=CC=C1,DRUG_9234
9235,9235,9235,9235,9235,9235,9235,9235,DB04665,Coumarin,DrugBank,drug,O=C1OC2=CC=CC=C2C=C1,DRUG_9235
9236,9236,9236,9236,9236,9236,9236,9236,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",DrugBank,drug,[H]N(CC1=C(F)C=CC=N1)C(=O)CN1C(C)=CN=C(N([H])CC(F)(F)C2=CC=CC=N2)C1=O,DRUG_9236
9237,9237,9237,9237,9237,9237,9237,9237,DB05299,Keyhole limpet hemocyanin,DrugBank,drug,,DRUG_9237
9238,9238,9238,9238,9238,9238,9238,9238,DB04850,Posizolid,DrugBank,drug,OC[C@H](O)C(=O)N1CCC(=CC1)C1=C(F)C=C(C=C1F)N1C[C@H](COC2=NOC=C2)OC1=O,DRUG_9238
9239,9239,9239,9239,9239,9239,9239,9239,DB07065,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine",DrugBank,drug,ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1,DRUG_9239
9240,9240,9240,9240,9240,9240,9240,9240,DB14385,Influenza B virus B/Brisbane/60/2008 hemagglutinin antigen (formaldehyde inactivated),DrugBank,drug,,DRUG_9240
9241,9241,9241,9241,9241,9241,9241,9241,DB03478,2'-O-Acetyl Adenosine-5-Diphosphoribose,DrugBank,drug,[H][C@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])OC(C)=O,DRUG_9241
9242,9242,9242,9242,9242,9242,9242,9242,DB02490,(Diaminomethyl-Methyl-Amino)-Acetic Acid,DrugBank,drug,CN(CC(O)=O)C(N)N,DRUG_9242
9243,9243,9243,9243,9243,9243,9243,9243,DB16171,Foscarbidopa,DrugBank,drug,C[C@@](CC1=CC=C(OP(O)(O)=O)C(O)=C1)(NN)C(O)=O,DRUG_9243
9244,9244,9244,9244,9244,9244,9244,9244,DB17042,PD-98059,DrugBank,drug,COC1=CC=CC(=C1N)C1=CC(=O)C2=CC=CC=C2O1,DRUG_9244
9245,9245,9245,9245,9245,9245,9245,9245,DB06420,Annamycin,DrugBank,drug,C[C@@H]1O[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=CC=CC=C4C(=O)C2=C3O)C(=O)CO)[C@H](I)[C@H](O)[C@H]1O,DRUG_9245
9246,9246,9246,9246,9246,9246,9246,9246,DB06693,Mevastatin,DrugBank,drug,[H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,DRUG_9246
9247,9247,9247,9247,9247,9247,9247,9247,DB11238,Borage oil,DrugBank,drug,,DRUG_9247
9248,9248,9248,9248,9248,9248,9248,9248,DB00215,Citalopram,DrugBank,drug,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,DRUG_9248
9249,9249,9249,9249,9249,9249,9249,9249,DB11714,Durvalumab,DrugBank,drug,,DRUG_9249
9250,9250,9250,9250,9250,9250,9250,9250,DB14187,Hydroxycitronellal,DrugBank,drug,[H]C(=O)CC(C)CCCC(C)(C)O,DRUG_9250
9251,9251,9251,9251,9251,9251,9251,9251,DB03758,Radicicol,DrugBank,drug,C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1,DRUG_9251
9252,9252,9252,9252,9252,9252,9252,9252,DB02962,Benzimidazole,DrugBank,drug,N1C=NC2=CC=CC=C12,DRUG_9252
9253,9253,9253,9253,9253,9253,9253,9253,DB17117,Seclidemstat,DrugBank,drug,CN1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)C(=O)N\N=C(/C)C1=C(O)C=CC(Cl)=C1,DRUG_9253
9254,9254,9254,9254,9254,9254,9254,9254,DB00983,Formoterol,DrugBank,drug,COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1,DRUG_9254
9255,9255,9255,9255,9255,9255,9255,9255,DB00336,Nitrofural,DrugBank,drug,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O,DRUG_9255
9256,9256,9256,9256,9256,9256,9256,9256,DB09329,"Antihemophilic factor (recombinant), PEGylated",DrugBank,drug,,DRUG_9256
9257,9257,9257,9257,9257,9257,9257,9257,DB04113,N-Formylpiperidine,DrugBank,drug,[H]C(=O)N1CCCCC1,DRUG_9257
9258,9258,9258,9258,9258,9258,9258,9258,DB11130,Opium,DrugBank,drug,,DRUG_9258
9259,9259,9259,9259,9259,9259,9259,9259,DB12739,Bindarit,DrugBank,drug,CC(C)(OCC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12)C(O)=O,DRUG_9259
9260,9260,9260,9260,9260,9260,9260,9260,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",DrugBank,drug,[H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1,DRUG_9260
9261,9261,9261,9261,9261,9261,9261,9261,DB00306,Talbutal,DrugBank,drug,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,DRUG_9261
9262,9262,9262,9262,9262,9262,9262,9262,DB01022,Phylloquinone,DrugBank,drug,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,DRUG_9262
9263,9263,9263,9263,9263,9263,9263,9263,DB12146,Rigosertib,DrugBank,drug,COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC(O)=O)=C2)C(OC)=C1,DRUG_9263
9264,9264,9264,9264,9264,9264,9264,9264,DB11765,PF-04991532,DrugBank,drug,OC(=O)C1=CC=C(NC(=O)[C@H](CC2CCCC2)N2C=NC(=C2)C(F)(F)F)N=C1,DRUG_9264
9265,9265,9265,9265,9265,9265,9265,9265,DB06252,R112,DrugBank,drug,OC1=CC=CC(NC2=NC=C(F)\C(N2)=N/C2=CC(O)=CC=C2)=C1,DRUG_9265
9266,9266,9266,9266,9266,9266,9266,9266,DB00412,Rosiglitazone,DrugBank,drug,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1,DRUG_9266
9267,9267,9267,9267,9267,9267,9267,9267,DB07459,4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE,DrugBank,drug,O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1,DRUG_9267
9268,9268,9268,9268,9268,9268,9268,9268,DB08771,"(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one",DrugBank,drug,CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O,DRUG_9268
9269,9269,9269,9269,9269,9269,9269,9269,DB06972,"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile",DrugBank,drug,ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O,DRUG_9269
9270,9270,9270,9270,9270,9270,9270,9270,DB00285,Venlafaxine,DrugBank,drug,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1,DRUG_9270
9271,9271,9271,9271,9271,9271,9271,9271,DB01211,Clarithromycin,DrugBank,drug,[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC,DRUG_9271
9272,9272,9272,9272,9272,9272,9272,9272,DB01012,Cinacalcet,DrugBank,drug,C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12,DRUG_9272
9273,9273,9273,9273,9273,9273,9273,9273,DB12534,Mavrilimumab,DrugBank,drug,,DRUG_9273
9274,9274,9274,9274,9274,9274,9274,9274,DB12843,Oleandrin,DrugBank,drug,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]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O,DRUG_9274
9275,9275,9275,9275,9275,9275,9275,9275,DB01373,Calcium,DrugBank,drug,[Ca],DRUG_9275
9276,9276,9276,9276,9276,9276,9276,9276,DB02205,(+)-Rutamarin alcohol,DrugBank,drug,CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C,DRUG_9276
9277,9277,9277,9277,9277,9277,9277,9277,DB12130,Lorlatinib,DrugBank,drug,C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2,DRUG_9277
9278,9278,9278,9278,9278,9278,9278,9278,DB12625,Evogliptin,DrugBank,drug,CC(C)(C)OC[C@H]1N(CCNC1=O)C(=O)C[C@H](N)CC1=CC(F)=C(F)C=C1F,DRUG_9278
9279,9279,9279,9279,9279,9279,9279,9279,DB07807,"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL",DrugBank,drug,[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O,DRUG_9279
9280,9280,9280,9280,9280,9280,9280,9280,DB16511,KAND567,DrugBank,drug,CC(C)C[C@H](CO)NC1=NC(S[C@@H](C)C2=CC=CC=C2)=NC2=C1SC(N)=N2,DRUG_9280
9281,9281,9281,9281,9281,9281,9281,9281,DB05129,Elsamitrucin,DrugBank,drug,CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O,DRUG_9281
9282,9282,9282,9282,9282,9282,9282,9282,DB02510,5'-O-(L-Prolylsulfamoyl)adenosine,DrugBank,drug,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COS(=O)(=O)N([H])C(=O)[C@@H]4CCCN4[H])[C@@H](O)[C@H]3O)C2=NC=N1,DRUG_9282
9283,9283,9283,9283,9283,9283,9283,9283,DB11764,Spebrutinib,DrugBank,drug,COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)C=C)=C3)=N2)C=C1,DRUG_9283
9284,9284,9284,9284,9284,9284,9284,9284,DB18515,Revumenib,DrugBank,drug,CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=CN=CN=C1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2,DRUG_9284
9285,9285,9285,9285,9285,9285,9285,9285,DB11142,Selenomethionine,DrugBank,drug,C[Se]CC[C@H](N)C(O)=O,DRUG_9285
9286,9286,9286,9286,9286,9286,9286,9286,DB07229,"3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE",DrugBank,drug,COC1=CC(=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+])C1=CC=CC=C1,DRUG_9286
9287,9287,9287,9287,9287,9287,9287,9287,DB00884,Risedronic acid,DrugBank,drug,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O,DRUG_9287
9288,9288,9288,9288,9288,9288,9288,9288,DB15090,Tezepelumab,DrugBank,drug,,DRUG_9288
9289,9289,9289,9289,9289,9289,9289,9289,DB01053,Benzylpenicillin,DrugBank,drug,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,DRUG_9289
9290,9290,9290,9290,9290,9290,9290,9290,DB16838,BLZ-945,DrugBank,drug,CNC(=O)C1=NC=CC(OC2=CC=C3N=C(N[C@@H]4CCCC[C@H]4O)SC3=C2)=C1,DRUG_9290
9291,9291,9291,9291,9291,9291,9291,9291,DB12116,Epigallocatechin gallate,DrugBank,drug,OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1,DRUG_9291
9292,9292,9292,9292,9292,9292,9292,9292,DB00275,Olmesartan,DrugBank,drug,CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O,DRUG_9292
9293,9293,9293,9293,9293,9293,9293,9293,DB13411,Lofepramine,DrugBank,drug,CN(CCCN1C2=CC=CC=C2CCC2=CC=CC=C12)CC(=O)C1=CC=C(Cl)C=C1,DRUG_9293
9294,9294,9294,9294,9294,9294,9294,9294,DB04826,Thenalidine,DrugBank,drug,CN1CCC(CC1)N(CC1=CC=CS1)C1=CC=CC=C1,DRUG_9294
9295,9295,9295,9295,9295,9295,9295,9295,DB06064,KAI-1455,DrugBank,drug,,DRUG_9295
9296,9296,9296,9296,9296,9296,9296,9296,DB15257,Milademetan,DrugBank,drug,CC1(C)CCC2(CC1)N[C@H]([C@H](C1=C(F)C(Cl)=NC=C1)[C@]21C(=O)NC2=CC(Cl)=CC=C12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O,DRUG_9296
9297,9297,9297,9297,9297,9297,9297,9297,DB00622,Nicardipine,DrugBank,drug,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1,DRUG_9297
9298,9298,9298,9298,9298,9298,9298,9298,DB12338,Carisbamate,DrugBank,drug,NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl,DRUG_9298
9299,9299,9299,9299,9299,9299,9299,9299,DB10836,Bromus secalinus pollen,DrugBank,drug,,DRUG_9299
9300,9300,9300,9300,9300,9300,9300,9300,DB07715,Emodin,DrugBank,drug,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O,DRUG_9300
9301,9301,9301,9301,9301,9301,9301,9301,DB02843,alpha-D-glucose-1-phosphate,DrugBank,drug,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,DRUG_9301