0 B14R2.203 N#CC1=C(Cl)N=CC2=C1C=CC=C2 4810AA [0,0,0,0,0,0|2,0,2]=4 1 B14R2.203 N#CC1=C2C=CC=CC2=CC=C1O 2086AL [0,0,0,0,0,0|0,0,2]=2 2 B13R2.32 CC1=C(N)C2=C(C=CC=C2)N=C1 0149AB [1,0,0,0,0,0|2,0,0]=3 3 B13R2.32 CC1=CC=C2C=CC=NC2=C1O 8091AB [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 NC1=C(N)C2=C(C=CC=C2)N=C1 3959AC [1,0,0,0,0,0|2,0,0]=3 5 B13R2.32 NC1=C(N)C2=CC=CN=C2C=C1 3058AE [1,0,0,0,0,0|2,0,0]=3 6 B13R2.32 OC1=C2N=CC=CC2=CC=C1F 4287AB [1,0,0,0,0,0|3,0,0]=4 7 B13R2.32 OC1=CN=C2C=CC=NC2=C1I 3058AD [1,0,0,0,0,0|3,0,0]=4 8 B13R2.1613 BrCC1=C2C=CC=CC2=NC=C1 8238AB [1,0,0,0,0,0|2,0,0]=3 9 B13R2.1613 BrCC1=C2C=NC=CC2=CC=C1 Y4780 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.1613 BrCC1=CC=NC2=CC=CC=C12 1467AC [1,0,0,0,0,0|2,0,0]=3 11 B13R2.1613 C#CC1=CC=CC2=C1C=CC=N2 X8686 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.1613 C#CC1=CC=CC2=CC=CC=C12 0097AP [1,0,0,0,0,0|1,0,1]=3 13 B13R2.1613 CNC1=C2C=CC=CC2=NC=C1 X5089 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.1613 ClCC1=CC=CC2=C1C=CN=C2 1913AC [1,0,0,0,0,0|2,0,0]=3 15 B13R2.1613 ClCC1=CC=CC2=C1C=CN=C2 2516AC [1,0,0,0,0,0|2,0,0]=3 16 B13R2.1613 ClCC1=NC=CC2=CC=CC=C21 2568AB [1,0,0,0,0,0|2,0,0]=3 17 B13R2.1613 NCC1=C2C=NC=CC2=CC=C1 Y8869 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 8816AB [1,0,0,0,0,0|3,0,0]=4 19 B13R2.1613 NNC1=CC=CC2=C1C=CC=N2 7925AA [1,0,0,0,0,0|2,0,0]=3 20 B13R2.1613 OCC1=C2C=CC=CC2=CN=C1 Y9934 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 9497AB [1,0,0,0,0,0|2,0,0]=3 22 B15R2.1162 O=[N+]([O-])C1=C2C=CC=NC2=CC=C1O 0728AA [0,1,0,0,0,0|3,0,0]=4 23 B15R2.6124 N\C=C1\C(=O)OC(=O)C2=CC=CC=C21 9713AE [0,1,0,0,0,0|1,0,2]=4 24 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 1587AA [1,0,1,0,0,0|1,0,1]=4 25 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 Y5392 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.24 FC1=CC2=NC=CC=C2C=C1 5205AB [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 FC1=CN=C2C=CC=CC2=C1 5204AB [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 IC1=CC2=CN=CC=C2C=C1 Y5544 [2,0,0,0,0,0|2,0,0]=4 29 B12R2.24 IC1=CC=C2C=CC=CC2=N1 0061AC [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Y7545 [2,0,0,0,0,0|1,0,0]=3 31 B12R2.24 OC1C=CC2=C(C=CC=C2)O1 2698AA [2,0,0,0,0,0|1,0,1]=4 32 B12R2.24 SC1=CC2=CC=CC=C2N=C1 Y4019 [2,0,0,0,0,0|1,1,0]=4 33 B12R2.1081 C[N+]1=CC=NC2=CC=CC=C21 6977AD [2,0,0,0,0,0|2,0,0]=4 34 B12R2.1081 FC1=CC=CC2=C1C=CN=C2 Y5412 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.1081 IC1=C2C=CC=CC2=CC=N1 Y5331 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.1081 NC1=C2C=CN=NC2=CC=C1 1091AB [2,0,0,0,0,0|2,0,0]=4 37 B12R2.1081 NC1=C2N=NC=CC2=CC=C1 1092AB [2,0,0,0,0,0|2,0,0]=4 38 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 I394 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.1081 OC1=CN=CC2=C1C=CC=C2 7709AA [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 [O-][N+]1=C2C=CC=CC2=CC=C1 8922AL [2,0,0,0,0,0|2,0,0]=4 41 B14R2.92 COC1=C(C)C2=C(C=CC=N2)N=C1 4759AC [1,1,0,0,0,0|2,0,0]=4 42 B14R2.92 COC1=C(N)C2=C(C=CC=N2)C=C1 2826AC [1,1,0,0,0,0|1,0,0]=3 43 B14R2.4513 OC1=CC2=C(F)C(F)=CC=C2C=C1 0391AC [1,1,0,0,0,0|2,0,0]=4 44 B14R2.7724 CC1=CC(N)=C2C=CC=CC2=C1O 5858AF [1,1,0,0,0,0|2,0,0]=4 45 B14R2.7724 O=C1C=C(Cl)C2=CC=CC=C2C1=O X7146 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.8188 CC1=C(O)C(=O)C2=CC=CC=C2N1 4162AB [1,1,0,0,0,0|2,0,0]=4 47 B14R2.29369 CC1=CC=C2C(=N1)C=CC(C)=C2N 9745AC [1,1,0,0,0,0|2,0,0]=4 48 B14R2.29369 NC1=C(Cl)C=CC2=NC(Cl)=CC=C21 W7317 [1,1,0,0,0,0|2,0,0]=4 49 B14R2.1073 NNC1=C2C=CC(Cl)=CC2=NC=C1 C131 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.1078 CCC1=C2N=CC=C(N)C2=CC=C1 2643AJ [1,1,0,0,0,0|2,0,0]=4 51 B14R2.1131 C#CC1=CC=C(F)C2=CC=CC=C12 3056AH [1,1,0,0,0,0|1,0,1]=4 52 B14R2.1131 FC1=C2C=CC=NC2=C(CCl)C=C1 3746AJ [1,1,0,0,0,0|2,0,0]=4 53 B14R2.1131 NCC1=C2C=CC=NC2=C(O)C=C1 0111AF [1,1,0,0,0,0|1,0,0]=3 54 B14R2.1131 NCC1=NNC(=O)C2=C1C=CC=C2 7656AD [1,1,0,0,0,0|2,0,0]=4 55 B14R2.1131 NNC1=CC=C(Cl)C2=C1C=CC=C2 8762AH [1,1,0,0,0,0|1,0,0]=3 56 B14R2.1131 NNC1=NC=C(Br)C2=CC=CC=C21 2676AJ [1,1,0,0,0,0|2,0,0]=4 57 B14R2.1131 OCC1=C2C=CC=NC2=C(O)C=C1 2750AE [1,1,0,0,0,0|2,0,0]=4 58 B14R2.1146 O=CC1=C2C=CC=CC2=CC(O)=C1 5890AJ [1,1,0,0,0,0|1,0,1]=4 59 B14R2.7150 BrCCC1=CC=CC2=CC=CC=C21 0982AQ [1,1,0,0,0,0|1,0,0]=3 60 B14R2.7150 NCCC1=CC=CC2=C1C=CN=C2 Y4656 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.7150 NCCC1=CC=CC2=CC=CC=C21 0447AQ [1,1,0,0,0,0|0,0,0]=2 62 B14R2.11635 CC1=C2C(=CC=C1)C=CC=C2CO 0811AA [1,1,0,0,0,0|1,0,0]=3 63 B14R2.31359 BrC(Br)C1=C2N=CC=CC2=CC=C1 3199AC [1,1,0,0,0,0|2,0,0]=4 64 B14R2.31359 NC(=O)C1=CC=CC2=C1C=NC=C2 6119AA [1,1,0,0,0,0|1,0,1]=4 65 B14R2.31359 NC(=S)C1=C2C=CC=CC2=CC=N1 4164AJ [1,1,0,0,0,0|1,0,1]=4 66 B14R2.31359 NC(=S)C1=C2C=CC=NC2=CC=C1 4488AJ [1,1,0,0,0,0|1,0,1]=4 67 B14R2.31359 NC(=S)C1=C2C=NC=CC2=CC=C1 Y4504 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.517 CNCC1=C(C)NC2=CC=CC=C21 0569AE [0,1,0,0,1,0|2,0,0]=4 69 B16R2.334 CC(C)(C)C1=C2C=CC=CC2=CC=C1N 5044AB [0,2,0,0,0,0|2,0,0]=4 70 B16R2.333 O=C(O)CC1=C2C=CC=CC2=CC=C1O 7990AC [0,2,0,0,0,0|1,0,0]=3 71 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 1063AJ [0,0,1,1,0,0|1,0,1]=4 72 B14R2.112 NCCC1=NC2=C(C=CC=C2)C=C1 0946AA [0,0,1,1,0,0|1,0,1]=4 73 B16R3.335 CC1=CC2=C(C1)C3=C(C=CC=C3)C=C2 7506AA [0,1,0,1,0,0|2,0,0]=4 74 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [1,0,0,0,1,0|2,0,0]=4 75 B12R2.82 CC1=C2NC=CC2=CC=C1Br 0054AA [1,0,0,0,1,0|2,0,0]=4 76 B12R2.82 CC1=C2NC=CC2=CC=C1Cl 8540AB [1,0,0,0,1,0|2,0,0]=4 77 B12R2.1 NCC1=CN=C2C=CC=CN12 Y3000 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.1 NCC1=CNC2=C1C=CC=N2 3568AF [1,0,0,0,1,0|2,0,0]=4 79 B12R2.315 BrCC1=C2SC=CC2=CC=C1 Y6789 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.315 NCC1=C2N=CNC2=CC=C1 9888AB [1,0,0,0,1,0|2,0,0]=4 81 B12R2.315 NCC1=C2N=COC2=CC=C1 0125AP [1,0,0,0,1,0|2,0,0]=4 82 B12R2.315 NCC1=C2SC=CC2=CC=C1 X3847 [1,0,0,0,1,0|1,0,0]=3 83 B12R2.315 NCC1=CC=NC2=C1C=CN2 5878AC [1,0,0,0,1,0|2,0,0]=4 84 B12R2.315 OCC1=CC=CC2=C1C=CS2 7267AB [1,0,0,0,1,0|2,0,0]=4