0 B21R3.8475280 CCOC(=O)C1CC2=C(NC3=C2C=CC=C3)C(=N1)C MCULE-5400993374 [0,0,0,0,0,0|0,0,2]=2 1 B21R3.8475280 CCOC(=O)C1CC2=C(NC3=C2C=CC=C3)C(=N1)C MCULE-6700277126 [0,0,0,0,0,0|0,0,2]=2 2 B21R3.8475280 CCOC(=O)C1CC2=C(NC3=C2C=CC=C3)C(N1)C MCULE-8371004146 [0,0,0,0,0,0|0,0,0]=0 3 B21R3.8475280 CCOC(=O)C1CC2=C(NC3=C2C=CC=C3)C(N1)C MCULE-9422550039 [0,0,0,0,0,0|0,0,0]=0 4 B20R3.350155 CCCC(=O)N1CCC2=C(C1)C3=C(N2)C=CC=C3 MCULE-7084621011 [1,0,0,0,0,0|3,0,0]=4 5 B20R3.350155 CCOC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-7719739996 [1,0,0,0,0,0|0,0,0]=1 6 B20R3.350155 CCOC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-9683148635 [1,0,0,0,0,0|0,0,0]=1 7 B20R3.350155 CCOC(=O)C1CCC2=C(C1)C3=C(N2)C=CC=C3 MCULE-9412209571 [1,0,0,0,0,0|1,0,0]=2 8 B20R3.350155 CCOC(=O)N1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-3665596016 [1,0,0,0,0,0|2,0,0]=3 9 B20R3.350155 CCOC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-5304173187 [1,0,0,0,0,0|0,0,0]=1 10 B20R3.350155 CCOC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-5613868255 [1,0,0,0,0,0|0,0,0]=1 11 B20R3.350155 CCOC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-5622744187 [1,0,0,0,0,0|0,0,0]=1 12 B20R3.350155 CCOC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-9432126405 [1,0,0,0,0,0|0,0,0]=1 13 B20R3.5872911 COC(=O)C1CC2=C(NC3=CC=CC=C23)C(=N1)C MCULE-2388883101 [1,0,0,0,0,0|0,0,2]=3 14 B20R3.5872911 COC(=O)C1CC2=C(NC3=CC=CC=C23)C(=N1)C MCULE-7492226054 [1,0,0,0,0,0|0,0,2]=3 15 B20R3.5872911 COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C MCULE-2105940723 [1,0,0,0,0,0|0,0,0]=1 16 B20R3.5872911 COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C MCULE-6382348744 [1,0,0,0,0,0|0,0,0]=1 17 B20R3.5872911 COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)C(=N1)C MCULE-5266783790 [1,0,0,0,0,0|0,0,2]=3 18 B20R3.5872911 COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)C(=N1)C MCULE-7723667382 [1,0,0,0,0,0|0,0,2]=3 19 B20R3.5872911 [C@H]1(CC2=C(NC3=CC=CC=C23)C(=N1)C)C(=O)OC MCULE-3271607571 [1,0,0,0,0,0|0,0,2]=3 20 B20R3.5872911 [C@H]1(CC2=C(NC3=CC=CC=C23)C(=N1)C)C(=O)OC MCULE-9559744619 [1,0,0,0,0,0|0,0,2]=3 21 B20R2.44172 CCOC(=O)CNC(=O)C1=C(C2=C(O1)C=CC=C2)C MCULE-9370625107 [0,0,1,0,0,0|2,0,1]=4 22 B19R2.218 COC(=O)C(CC1=CNC2=C1C=CC=C2)NC=O MCULE-5127942695 [1,0,1,0,0,0|1,0,1]=4 23 B19R3.243403 COC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-1505826843 [2,0,0,0,0,0|0,0,0]=2 24 B19R3.243403 COC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-4018416995 [2,0,0,0,0,0|0,0,0]=2 25 B19R3.243403 COC(=O)C1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-4225817189 [2,0,0,0,0,0|0,0,0]=2 26 B19R3.243403 COC(=O)C1CCC2=C(C1)C3=CC=CC=C3N2 MCULE-6020219211 [2,0,0,0,0,0|1,0,0]=3 27 B19R3.243403 COC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-3596757724 [2,0,0,0,0,0|0,0,0]=2 28 B19R3.243403 COC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-5263505822 [2,0,0,0,0,0|0,0,0]=2 29 B19R3.243403 COC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-7472855490 [2,0,0,0,0,0|0,0,0]=2 30 B19R3.243403 COC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-7534268261 [2,0,0,0,0,0|0,0,0]=2 31 B19R3.243403 COC(=O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-2384188992 [2,0,0,0,0,0|0,0,0]=2 32 B19R3.243403 COC(=O)[C@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-2866072124 [2,0,0,0,0,0|0,0,0]=2 33 B19R3.243403 NNC(=O)C1CC2=C(CN1)NC3=CC=CC=C23 MCULE-6809739994 [2,0,0,0,0,0|2,0,0]=4 34 B19R3.243403 NNC(=O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 MCULE-6852081199 [2,0,0,0,0,0|2,0,0]=4 35 B19R3.243403 [C@H]1(CC2=C(CN1)NC3=CC=CC=C23)C(=O)OC MCULE-3523660227 [2,0,0,0,0,0|0,0,0]=2 36 B19R3.243403 [C@H]1(CC2=C(CN1)NC3=CC=CC=C23)C(=O)OC MCULE-8042490726 [2,0,0,0,0,0|0,0,0]=2 37 B19R3.171405 CC1=NC(CC2=C1NC3=C2C=CC=C3)C(=O)O MCULE-9989881254 [2,0,0,0,0,0|0,0,2]=4 38 B19R3.171405 CC1=[NH+]C(CC2=C1NC3=C2C=CC=C3)C(=O)O MCULE-3663306379 [2,0,0,0,0,0|0,0,2]=4 39 B19R3.171405 CC1NC(CC2=C1NC3=C2C=CC=C3)C(=O)O MCULE-4705616168 [2,0,0,0,0,0|0,0,0]=2 40 B19R3.171405 C[C@@H]1N[C@@H](CC2=C1NC3=CC=CC=C23)C(=O)O MCULE-6355834778 [2,0,0,0,0,0|0,0,0]=2 41 B21R2.14804 C(CC1=CNC2=C1C=CC=C2)(NC(=O)C)C(=O)OCC MCULE-9815535080 [0,1,1,0,0,0|0,0,1]=3 42 B21R2.14804 CCOC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)C MCULE-4792265059 [0,1,1,0,0,0|0,0,1]=3 43 B21R2.14804 [C@@H](CC1=CNC2=C1C=CC=C2)(NC(=O)C)C(=O)OCC MCULE-9274765392 [0,1,1,0,0,0|0,0,1]=3 44 B21R2.312991 CCOC(=O)C(C)NC(=O)C1=CC2=C(N1)C=C(C=C2)F MCULE-2246647006 [0,1,1,0,0,0|1,0,1]=4 45 B21R3.8531093 CCOC(=O)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)Cl MCULE-9390644477 [1,1,0,0,0,0|1,0,0]=3 46 B21R3.8531093 CCOC(=O)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)F MCULE-8619328348 [1,1,0,0,0,0|1,0,0]=3 47 B21R3.8531093 CCOC(=O)N1CCC2=C(C1)C3=C(N2)C=CC(=C3)F MCULE-3669526495 [1,1,0,0,0,0|2,0,0]=4 48 B21R3.8531093 CCOC(=O)N1CCC2=C(C1)C3=CC(=CC=C3N2)Br MCULE-5458536698 [1,1,0,0,0,0|2,0,0]=4 49 B21R3.8531093 CCOC(=O)N1CCC2=C(C1)C3=CC(=CC=C3N2)C MCULE-8487880013 [1,1,0,0,0,0|2,0,0]=4 50 B21R3.8531093 CCOC(=O)N1CCC2=C(C1)C3=CC(=CC=C3N2)Cl MCULE-1768373496 [1,1,0,0,0,0|2,0,0]=4 51 B21R3.47296464 CCOC(=O)C1CCC2=C(C1)C3=C(N2)C(=CC=C3)Cl MCULE-8500239696 [1,1,0,0,0,0|1,0,0]=3 52 B21R3.798207 CCC1NC(CC2=C1NC3=CC=CC=C23)C(=O)OC MCULE-5793398104 [1,1,0,0,0,0|0,0,0]=2 53 B21R3.798207 CCC1[NH2+]C(CC2=C1NC3=CC=CC=C23)C(=O)OC MCULE-2652805229 [1,1,0,0,0,0|0,0,1]=3 54 B21R3.51797034 COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)(C)C MCULE-9461396829 [1,1,0,0,0,0|0,0,0]=2 55 B21R3.51797034 COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)C(N1)(C)C MCULE-9984936275 [1,1,0,0,0,0|0,0,0]=2 56 B23R3.3340313 CCCCOC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C MCULE-2952815395 [0,2,0,0,0,0|0,0,0]=2 57 B23R3.3340313 CCCCOC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C MCULE-8120035684 [0,2,0,0,0,0|0,0,0]=2