0 B13R2.369 CC1=C(C)N=C2C=CC=CC2=C1 8854AA [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=CC2=C(C=CC=N2)C=C1Cl 3699AC [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 CC1=CC2=C(C=CN=C2)C=C1O 0240AC [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 2809AA [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2544AB [0,0,0,0,0,0|2,0,0]=2 5 B13R2.369 CC1SC2=CC=CC=C2NC1=O 8425AE [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 FC1=C(Cl)C=C2C=NC=CC2=C1 3194AF [0,0,0,0,0,0|4,0,0]=4 7 B13R2.369 NC1=CC2=C(C=CC=N2)C=C1Cl 1377AB [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 NC1=NC2=C(C=CC=C2)C=C1Cl 6755AB [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 NC1=NC2=CC=CC=C2NC1=O 2364AL [0,0,0,0,0,0|3,0,0]=3 10 B13R2.369 O=C1NC2=CC=CC=C2C=C1Cl 6012AC [0,0,0,0,0,0|2,0,0]=2 11 B12R2.24 BrC1=CC2=CN=CC=C2N=C1 Z4310 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 BrC1=CC=C2C=NC=CC2=N1 1593AJ [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 Y5392 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 FC1=CC2=NC=CC=C2C=C1 5205AB [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 FC1=CN=C2C=CC=CC2=C1 5204AB [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 IC1=CC2=CN=CC=C2C=C1 Y5544 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.24 IC1=CC=C2C=CC=CC2=N1 0061AC [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 NC1=CC=C2C=NC=CC2=N1 1539AL [1,0,0,0,0,0|3,0,0]=4 19 B12R2.24 NC1=NC2=C(C=CN=C2)C=C1 7985AB [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 OC1=CC2=CN=CC=C2C=C1 Y7545 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 OC1C=CC2=C(C=CC=C2)O1 2698AA [1,0,0,0,0,0|0,0,2]=3 22 B12R2.24 SC1=CC2=CC=CC=C2N=C1 Y4019 [1,0,0,0,0,0|1,1,0]=3 23 B14R2.1128 CC1OC2=C(C=CC=C2)C=C1C=O 5909AE [0,1,0,0,0,0|1,0,2]=4 24 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O 6031AA [0,1,0,0,0,0|3,0,0]=4 25 B14R2.1128 COC1=C(O)C=C2C=CC=CC2=C1 V5678 [0,1,0,0,0,0|1,0,1]=3 26 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1Cl 6340AC [0,1,0,0,0,0|3,0,0]=4 27 B14R2.1128 NCC1=C(O)C=C2C=CC=CC2=C1 5677AJ [0,1,0,0,0,0|2,0,0]=3 28 B14R2.1128 O=C1OC2=C(C=CC=C2)N\C1=N\O 5043AC [0,1,0,0,0,0|1,0,0]=2 29 B14R2.1128 O=C1SC2=C(C=CC=C2)N\C1=N\O 5044AC [0,1,0,0,0,0|1,1,0]=3 30 B14R2.1128 O=CC1=C(Cl)C=C2N=CC=CC2=C1 5458AC [0,1,0,0,0,0|3,0,0]=4 31 B14R2.1128 O=CC1=C(F)C=C2N=CC=CC2=C1 X5100 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.8188 CC1=C(O)C(=O)C2=CC=CC=C2N1 4162AB [0,1,0,0,0,0|2,0,0]=3 33 B14R2.8188 CN1C(=O)CC2=C(C=CC=C2)C1=O 6201AB [0,1,0,0,0,0|3,0,0]=4 34 B14R2.8239 NC1=NC2=C(C=CC(Br)=C2)NC1=O 1680AA [0,1,0,0,0,0|3,0,0]=4 35 B14R2.8239 O=C1NC2=CC=C(O)C=C2OC1O W2723 [0,1,0,0,0,0|2,0,1]=4 36 B14R2.28472 CC1=NC=CC2=C1C=C(Br)C(=O)N2 4503AD [0,1,0,0,0,0|3,0,0]=4 37 B14R2.28472 NC1=NC2=C(O)C=CC=C2NC1=O 0123AC [0,1,0,0,0,0|3,0,0]=4 38 B14R2.28472 O=C1NC2=C(NC1=O)C(O)=CC=C2 Y4363 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [0,0,0,0,1,0|3,0,0]=4 40 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br 9317AA [0,0,0,0,1,0|1,0,2]=4 41 B12R2.18 O=C1NC2=CN=CC=C2C1=O 9885AH [0,0,0,0,1,0|2,0,1]=4 42 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,0,0,0,1,0|1,0,1]=3 43 B12R2.100 OC1=C(F)C=C2NC=CC2=C1 2875AB [0,0,0,0,1,0|3,0,0]=4 44 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [1,0,1,0,0,0|1,0,1]=4 45 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [1,0,1,0,0,0|1,0,1]=4 46 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O 1228AB [0,1,1,0,0,0|1,0,0]=3 47 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [0,1,1,0,0,0|0,0,2]=4 48 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O Y9885 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.418 O=C(O)[C@@H](CO)CC1=CC=CC=C1 1202AL [0,1,1,0,0,0|0,0,2]=4 50 B13R2.32 CC1=C(N)C2=C(C=CC=C2)N=C1 0149AB [1,1,0,0,0,0|2,0,0]=4 51 B13R2.32 NC1=C(N)C2=C(C=CC=C2)N=C1 3959AC [1,1,0,0,0,0|2,0,0]=4 52 B13R2.32 OC1=CN=C2C=CC=NC2=C1I 3058AD [1,1,0,0,0,0|2,0,0]=4 53 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 Y7666 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 Y7676 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.57 [C-]#[N+]C1=CC2=CC=CC=C2C=C1 0461AQ [1,1,0,0,0,0|2,0,0]=4 56 B13R2.155 CC1=CC2=CC(Br)=CC=C2C=C1 9790AA [1,1,0,0,0,0|2,0,0]=4 57 B13R2.155 CC1=NC2=C(C=CC(N)=C2)C=C1 9854AB [1,1,0,0,0,0|2,0,0]=4 58 B13R2.155 NC1=CC2=CC(Cl)=CC=C2N=C1 1182AA [1,1,0,0,0,0|2,0,0]=4 59 B13R2.155 O=C1N=CC2=CC=C(Br)C=C2N1 6402AC [1,1,0,0,0,0|2,0,0]=4 60 B13R2.162 BrC1=CC=C2C=CC=C(Br)C2=N1 Z5228 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.162 CC1=CC2=C(C=CC=C2Br)N=C1 5231AB [1,1,0,0,0,0|2,0,0]=4 62 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 2067AL [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 O=C1C=C2C(Br)=CC=CC2=CN1 Y5733 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 O=C1NC=CC2=CC=C(O)C=C12 8878AB [1,1,0,0,0,0|2,0,0]=4 65 B13R2.162 OC1=CC=C2N=CC=C(Br)C2=C1 3918AC [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 CC1=NC2=CC=CC=C2C(I)=C1 2842AJ [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 ClC1=C2C=CC=CC2=NC(Br)=C1 Y9716 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 6001AC [1,1,0,0,0,0|1,0,0]=3 69 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 X3758 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 W7543 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 NC1=CC2=CC=C(Cl)N=C2C=C1 Z4468 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3683 O=C1C=C2C=CC(Br)=CC2=CN1 Y5735 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.3683 O=C1C=CC2=CC(Cl)=NC=C2N1 5866AC [1,1,0,0,0,0|2,0,0]=4 74 B13R2.3683 O=C1NCC2=CC(Br)=CC=C2O1 Y7226 [1,1,0,0,0,0|1,0,1]=4 75 B13R2.3683 SC1=CC2=CC=C(Cl)C=C2C=C1 5126AB [1,1,0,0,0,0|1,1,0]=4 76 B13R2.5179 BrC1=C2N=CC(I)=CC2=CC=C1 Y6498 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.5179 CC1=CC2=CC=CC(C)=C2C=C1 5914AE [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 2276AB [1,1,0,0,0,0|2,0,0]=4 79 B13R2.5179 CC1=NC=CC2=C1C=CC(=O)N2 1572AF [1,1,0,0,0,0|2,0,0]=4 80 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 X5325 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5179 NC1=C2N=CC(I)=CC2=CC=C1 4280AE [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 3166AJ [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5179 O=C1C=CC2=C(C=CN=C2Br)N1 3100AJ [1,1,0,0,0,0|2,0,0]=4 84 B13R2.5179 O=C1C=CC=C2NC(Cl)=CC=C12 4603AA [1,1,0,0,0,0|2,0,0]=4 85 B13R2.5179 OC1=CC=CC2=C1N=CC(Cl)=C2 2407AL [1,1,0,0,0,0|2,0,0]=4 86 B13R2.45 O=CC1=C(Br)C2=CC=CC=C2S1 0373AQ [0,1,0,0,1,0|1,1,0]=4 87 B13R2.45 O=CC1=C(Cl)C2=CC=CC=C2N1 8761AC [0,1,0,0,1,0|2,0,0]=4 88 B13R2.45 O=CC1=C(I)C2=C(C=CC=C2)N1 5891AD [0,1,0,0,1,0|2,0,0]=4 89 B13R2.3085 O=C1C2=CC=CN=C2C(=O)N1O V3027 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.3085 O=C1C2=CC=NC=C2C(=O)N1O 1563AB [0,1,0,0,1,0|2,0,0]=4 91 B15R2.274 O=CC1=C(Cl)C2=CC=CC=C2OC1=O 6898AB [0,2,0,0,0,0|0,0,1]=3 92 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O 3387AB [0,2,0,0,0,0|2,0,0]=4 93 B15R2.984 O=[N+]([O-])C1=C(Br)C=C2C=CC=CC2=C1 7866AE [0,2,0,0,0,0|2,0,0]=4 94 B15R2.984 O=[N+]([O-])C1=C(I)C=C2C=CC=CC2=C1 7603AC [0,2,0,0,0,0|2,0,0]=4 95 B15R2.984 OB(O)C1=C(O)N=C2C=CC=CC2=C1 X6511 [0,2,0,0,0,0|1,0,1]=4 96 B13R2.423 O=C(O)C1OC1C2=CC=CC=C2 5809AE [0,0,1,1,0,0|0,0,2]=4 97 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 W6567 [0,0,1,1,0,0|1,0,0]=3 98 B13R2.54 O=CC1=NC2=C(C=CC=C2Br)O1 2721AJ [0,0,1,1,0,0|2,0,0]=4 99 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,0,1,0,1,0|1,0,1]=4 100 B11R2.1 CC1=COC2=C1C=CC=N2 1819AA [1,0,0,0,1,0|2,0,0]=4 101 B11R2.1 O=C1N=NC2=CC=CC=C12 8326AB [1,0,0,0,1,0|2,0,0]=4 102 B11R2.1 OC1=NOC2=C1C=CC=N2 8623AA [1,0,0,0,1,0|2,0,0]=4 103 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [1,0,0,0,1,0|1,1,0]=4 104 B11R2.10 NC1=CC2=C(C=CC=C2)N1 X2016 [1,0,0,0,1,0|2,0,0]=4 105 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [1,0,0,0,1,0|2,0,0]=4 106 B11R2.10 O=C1NC2=C(N=CC=C2)O1 3093AA [1,0,0,0,1,0|2,0,0]=4 107 B11R2.10 OC1=NN2C=CC=CC2=C1 Y1674 [1,0,0,0,1,0|2,0,0]=4 108 B11R2.36 OC1=CN=C2C=COC2=C1 9864AC [1,0,0,0,1,0|2,0,0]=4 109 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O 5994AL [0,0,1,0,0,1|2,0,0]=4