0 B9R1.8 BrCCC1=NC=CC=C1 W8132 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.8 CC#CC1=CC=CC=C1 4952AL [0,0,0,0,0,0|2,0,2]=4 3 B9R1.8 CCCC1=NC=CC=C1 C946 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 CCCC1=NC=CN=C1 6087AD [0,0,0,0,0,0|0,0,0]=0 5 B9R1.8 CCNC1=CC=CC=N1 5047AL [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 CCOC1=NN=CC=C1 W7464 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 COCC1=CC=CN=C1 5231AH [0,0,0,0,0,0|2,0,0]=2 9 B9R1.8 COCC1=CC=NC=C1 5493AH [0,0,0,0,0,0|4,0,0]=4 10 B9R1.8 COCC1=NC=CC=C1 V2195 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 CSCC1=CC=CC=C1 7914AF [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [0,0,0,0,0,0|2,0,2]=4 13 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.8 ClCCC1=NC=CC=C1 W3687 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 ICCC1=CC=CC=C1 4037AL [0,0,0,0,0,0|3,0,0]=3 16 B9R1.8 N#CCC1=NC=CN=C1 7112AB [0,0,0,0,0,0|1,0,1]=2 17 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,0,0,0,0,0|3,0,0]=3 18 B9R1.8 NCCC1=CC=CN=C1 9756AD [0,0,0,0,0,0|2,0,0]=2 19 B9R1.8 NCCC1=CC=CN=C1 W8702 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.8 NCCC1=CC=NC=C1 W7604 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.8 OCCC1=CC=CC=C1 V0900 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.8 OCCC1=CC=CN=C1 Y9667 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.8 OCCC1=CC=NC=C1 6680AL [0,0,0,0,0,0|4,0,0]=4 24 B9R1.8 ONCC1=CC=CC=C1 9353AB [0,0,0,0,0,0|4,0,0]=4 25 B9R1.8 O\N=C\C1=NC=CC=C1 W9914 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.8 S=C=NC1=CC=CN=C1 Y7833 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 CNC1=NC=CN=C1 3544AB [1,0,0,0,0,0|1,0,0]=2 30 B8R1.2 COC1=CC=NC=N1 Y3333 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.2 COC1=CCC=CC1 Y5373 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 COC1=CN=CN=C1 W5346 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 CSC1=NC=CC=C1 L314 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 CSC1=NC=CC=N1 X0139 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 CSC1=NC=CN=N1 X6051 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 ClCC1=NC=CC=N1 W6849 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 NCC1=CN=CN=C1 W4845 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 NCC1=NC=CN=C1 W5959 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 NCC1=NC=NC=C1 9281AB [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 OCC1=CN=CN=C1 W4842 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 OCC1=NC=CC=N1 W6241 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [0,1,0,0,0,0|3,0,0]=4 48 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [0,1,0,0,0,0|2,0,0]=3 49 B10R1.1 CCCC1=CN=C(Cl)N=C1 7472AD [0,1,0,0,0,0|2,0,0]=3 50 B10R1.1 CCOC1=CC=C(Cl)N=N1 8931AA [0,1,0,0,0,0|3,0,0]=4 51 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.1 CCOC1=CN=C(Br)C=N1 1348AA [0,1,0,0,0,0|1,0,0]=2 53 B10R1.1 CCOC1=CN=C(N)C=N1 W7623 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.1 CCOC1=CN=C(N)N=C1 5139AB [0,1,0,0,0,0|3,0,0]=4 55 B10R1.1 CCOC1=NC=C(Br)C=N1 V3848 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.1 CCOC1=NC=C(Cl)N=C1 6462AA [0,1,0,0,0,0|1,0,0]=2 57 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,1,0,0,0,0|2,0,0]=3 58 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [0,1,0,0,0,0|3,0,0]=4 59 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [0,1,0,0,0,0|3,0,0]=4 60 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [0,1,0,0,0,0|3,0,0]=4 61 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [0,1,0,0,0,0|3,0,0]=4 63 B10R1.1 CNCC1=CN=C(C)N=C1 Z4024 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [0,1,0,0,0,0|2,0,0]=3 67 B10R1.1 N#CCC1=CC=C(Cl)C=N1 9688AA [0,1,0,0,0,0|2,0,1]=4 68 B10R1.1 N#CCC1=NC=C(Br)C=C1 W5332 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.1 N#CCC1=NC=C(N)C=C1 V8617 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [0,1,0,0,0,0|3,0,0]=4 71 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [0,1,0,0,0,0|3,0,0]=4 72 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [0,1,0,0,0,0|2,0,0]=3 73 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [0,1,0,0,0,0|2,0,0]=3 75 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.4 CC1=CC=CC=C1CCN S579 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.4 CCCC1=CC=NC=C1C 1078AE [0,1,0,0,0,0|3,0,0]=4 78 B10R1.4 CCCC1=NC=CN=C1C 5716AL [0,1,0,0,0,0|0,0,0]=1 79 B10R1.4 CCNC1=CC=CC=C1F 8903AD [0,1,0,0,0,0|3,0,0]=4 80 B10R1.4 CCNC1=NC=CN=C1N W9368 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [0,1,0,0,0,0|2,0,0]=3 82 B10R1.4 CCOC1=C(Cl)C=CC=C1 9221AB [0,1,0,0,0,0|3,0,0]=4 83 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [0,1,0,0,0,0|2,0,0]=3 84 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,1,0,0,0,0|2,0,0]=3 86 B10R1.4 CCOC1=CC=CC=C1F Z0605 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,1,0,0,0,0|3,0,0]=4 88 B10R1.4 CCOC1=NC=CN=C1N W9234 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [0,1,0,0,0,0|2,0,0]=3 90 B10R1.4 CNCC1=C(O)C=CC=C1 5657AL [0,1,0,0,0,0|3,0,0]=4 91 B10R1.4 CNCC1=CC=CC=C1F W6033 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.4 COCC1=C(O)C=CC=C1 5292AJ [0,1,0,0,0,0|3,0,0]=4 93 B10R1.4 COCC1=CC=CC=C1Br Z0660 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.4 ClC1=C(CCBr)C=CC=C1 8570AA [0,1,0,0,0,0|3,0,0]=4 95 B10R1.4 FC1=CC=CC=C1CCBr W9375 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.4 N#CCC1=CC=CN=C1Cl X8095 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,1,0,0,0,0|2,0,1]=4 98 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.4 NCCC1=CC=CC=C1N X9142 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.10 BrCCC1=CC=CC(Br)=C1 1605AL [0,1,0,0,0,0|3,0,0]=4 101 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,1,0,0,0,0|2,0,0]=3 102 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [0,1,0,0,0,0|3,0,0]=4 103 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,1,0,0,0,0|1,0,0]=2 104 B10R1.10 CCNC1=CC=CC(O)=C1 9329AB [0,1,0,0,0,0|3,0,0]=4 105 B10R1.10 CCNC1=NC=NC(Cl)=C1 V8416 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.10 CCOC1=CC=CC(Br)=N1 Y5031 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.10 CCOC1=CN=CC(Br)=C1 Z0262 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.10 CCOC1=NC=CC(Br)=C1 Z0708 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.10 CCSC1=CC(Br)=CC=C1 V3919 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.10 CCSC1=NC=CC(N)=N1 5302AE [0,1,0,0,0,0|3,0,0]=4 111 B10R1.10 CNCC1=CC(Br)=CN=C1 W8153 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.10 CNCC1=CC=CC(Br)=C1 7287AJ [0,1,0,0,0,0|3,0,0]=4 113 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [0,1,0,0,0,0|3,0,0]=4 114 B10R1.10 CNCC1=CC=CC(Cl)=C1 7403AJ [0,1,0,0,0,0|3,0,0]=4 115 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.10 ClC1=CC(CCBr)=CC=C1 4892AJ [0,1,0,0,0,0|3,0,0]=4 118 B10R1.10 N#CCC1=NC(Br)=CC=C1 2196AA [0,1,0,0,0,0|2,0,1]=4 119 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [0,1,0,0,0,0|3,0,0]=4 120 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,1,0,0,0,0|2,0,1]=4 125 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,1,0,0,0,0|3,0,0]=4 131 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [0,1,0,0,0,0|1,0,0]=2 132 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,1,0,0,0,0|2,0,0]=3 134 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [0,1,0,0,0,0|3,0,0]=4 135 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [0,1,0,0,0,0|2,0,0]=3 138 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 COC(=N)C1=NC=CC=C1 3585AL [0,1,0,0,0,0|2,0,1]=4 140 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.15 NC(CO)C1=CC=CC=N1 1465AJ [0,1,0,0,0,0|2,0,0]=3 142 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,0|3,0,0]=4 143 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.15 NNC(=O)C1=NC=CN=C1 W8351 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 N\C(=N/O)C1=NC=CN=C1 4643AE [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 O=C(CBr)C1=CC=CC=N1 5318AB [0,1,0,0,0,0|2,0,1]=4 149 B10R1.15 O=C(CBr)C1=CC=CN=C1 C113 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [0,1,0,0,0,0|3,0,0]=4 151 B10R1.17 CCOCC1=CC=CC=C1 S562 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,1,0,0,0,0|3,0,0]=4 153 B10R1.17 COCSC1=CC=CC=C1 8208AL [0,1,0,0,0,0|3,0,0]=4 154 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [0,1,0,0,0,0|3,0,0]=4 155 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.17 NCCCC1=CC=NC=C1 3209AB [0,1,0,0,0,0|3,0,0]=4 157 B10R1.17 NCCOC1=NC=CC=C1 W5199 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.17 NNCCC1=CC=CC=C1 4752AE [0,1,0,0,0,0|3,0,0]=4 159 B10R1.17 OCCNC1=CC=CC=C1 V7623 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.18 CC(=O)NC1=CN=CC=C1 6108AE [0,1,0,0,0,0|2,0,1]=4 162 B10R1.18 CC(=O)NC1=NC=CC=C1 Y5038 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [0,1,0,0,0,0|2,0,0]=3 164 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [0,1,0,0,0,0|2,0,1]=4 167 B8R0.4 CCC\C=C\C=C\CO Z4325 [0,0,1,0,0,0|2,0,1]=4 168 B10R2.6 C1=CC=C(C2CC2)C=C1 V8423 [0,0,0,1,0,0|2,0,0]=3 169 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [0,0,0,1,0,0|3,0,0]=4 170 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [0,0,0,1,0,0|2,0,0]=3 171 B10R2.7 C1=CC2=C(C=N1)CNC2 X6082 [0,0,0,1,0,0|2,0,0]=3 172 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [0,0,0,1,0,0|2,0,0]=3 173 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [0,0,0,1,0,0|1,0,2]=4 174 B10R2.7 C1=NC2=CSC=C2N=C1 2551AB [0,0,0,1,0,0|1,0,2]=4 175 B10R2.7 C1=NC=NC2=C1CNC2 3097AA [0,0,0,1,0,0|3,0,0]=4 176 B10R2.7 C1=NC=NC2=C1CNC2 W3417 [0,0,0,1,0,0|3,0,0]=4 177 B10R2.7 C1=NNC2=C1N=CC=N2 W5037 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.8 CCCC1=NC=CS1 9241AA [0,0,0,0,1,0|1,0,0]=2 179 B8R1.8 CCCN1C=CC=N1 Z0507 [0,0,0,0,1,0|1,0,0]=2 180 B8R1.8 CNCC1=CC=CS1 V7562 [0,0,0,0,1,0|2,0,0]=3 181 B8R1.8 CNCC1=CC=CS1 W7142 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.8 CSCC1=CC=CO1 9711AJ [0,0,0,0,1,0|2,0,0]=3 183 B8R1.8 ClCCC1=NN=NN1 L816 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.8 ClCCN1C=CC=N1 X5413 [0,0,0,0,1,0|2,0,0]=3 185 B8R1.8 ClCCN1C=CN=C1 9891AA [0,0,0,0,1,0|2,0,0]=3 186 B8R1.8 N#CCN1C=NC=N1 W8591 [0,0,0,0,1,0|2,0,1]=4 187 B8R1.8 NCCC1=CN=CN1 Y9749 [0,0,0,0,1,0|1,0,1]=3 188 B8R1.8 NCCC1=CSC=C1 Y8818 [0,0,0,0,1,0|2,0,0]=3 189 B8R1.8 NCCC1=NC=CS1 Y1661 [0,0,0,0,1,0|2,0,0]=3 190 B8R1.8 NCCC1=NC=CS1 Y8064 [0,0,0,0,1,0|2,0,0]=3 191 B8R1.8 NCCC1=NN=NN1 0701AE [0,0,0,0,1,0|3,0,0]=4 192 B8R1.8 NCCN1C=CN=C1 V2457 [0,0,0,0,1,0|2,0,0]=3 193 B8R1.8 OCCC1=CNC=N1 W8955 [0,0,0,0,1,0|1,0,1]=3 194 B8R1.8 OCCN1C=CC=N1 V7005 [0,0,0,0,1,0|2,0,0]=3 195 B8R1.8 OCCN1C=NN=C1 0251AC [0,0,0,0,1,0|3,0,0]=4 196 B8R1.8 ON\C=C1/C=CC=N1 0268AE [0,0,0,0,1,0|2,0,1]=4 197 B7R1.3 CC1=CN=CN=C1 V0658 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 CC1=CN=C(C#N)C=N1 Y5118 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [1,1,0,0,0,0|2,0,0]=4 202 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [1,1,0,0,0,0|1,0,0]=3 204 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.1 CNC1=CN=C(Cl)C=C1 3620AA [1,1,0,0,0,0|2,0,0]=4 209 B9R1.1 CNC1=NC=C(Br)C=C1 W8725 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.1 CNC1=NC=C(F)C=C1 Z2980 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.1 COC1=CN=C(Br)C=N1 X3205 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.1 COC1=CN=C(F)C=C1 Z0149 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.1 COC1=CN=C(I)C=C1 V3638 [1,1,0,0,0,0|2,0,0]=4 215 B9R1.1 COC1=CN=C(N)C=C1 X3522 [1,1,0,0,0,0|2,0,0]=4 216 B9R1.1 COC1=CN=C(N)C=N1 W6835 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.1 COC1=NC=C(F)C=C1 C523 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.1 CSC1=CN=C(Br)C=N1 X3206 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,1,0,0,0,0|2,0,0]=4 220 B9R1.1 ClC1=NC=C(CBr)C=C1 X4352 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [1,1,0,0,0,0|2,0,0]=4 222 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.1 N#CC1=CN=C(Br)C=N1 W4571 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.1 N#CC1=CN=C(Cl)C=N1 W5755 [1,1,0,0,0,0|1,0,1]=4 225 B9R1.1 NCC1=CC=C(Br)N=C1 X9441 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.1 NCC1=CC=C(N)C=N1 2034AC [1,1,0,0,0,0|2,0,0]=4 227 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [1,1,0,0,0,0|2,0,0]=4 228 B9R1.1 NCC1=CN=C(F)C=C1 0174AP [1,1,0,0,0,0|2,0,0]=4 229 B9R1.1 NCC1=NC=C(Cl)C=C1 Y9067 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.1 O=CC1=NC=C(Cl)N=C1 4431AC [1,1,0,0,0,0|1,0,1]=4 231 B9R1.1 OCC1=NC=C(Cl)C=C1 Y8215 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.1 OCC1=NC=C(Cl)N=C1 W8125 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.1 OCC1=NC=C(F)C=C1 W8534 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.2 CC1=CC(CN)=NC=C1 4854AH [1,1,0,0,0,0|2,0,0]=4 236 B9R1.2 CC1=CC=CC(CCl)=N1 W5316 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.2 CC1=CC=CC(CN)=N1 W7727 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 CC1=CN=CC(CCl)=C1 X8521 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.2 CC1=CN=CC(CO)=C1 W9908 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 CC1=NC(CCl)=CC=C1 W9926 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.2 CC1=NC(CN)=CC=C1 3382AC [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [1,1,0,0,0,0|2,0,0]=4 243 B9R1.2 CCC1=CN=CC(Br)=C1 W3099 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [1,1,0,0,0,0|2,0,0]=4 245 B9R1.2 CNC1=CC=CC(Cl)=N1 4697AC [1,1,0,0,0,0|2,0,0]=4 246 B9R1.2 CNC1=NC(Br)=CC=C1 V8759 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.2 CNC1=NC(Cl)=CN=C1 W8751 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.2 COC1=CC=CC(F)=N1 Z7765 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.2 COC1=CN=CC(Cl)=C1 V9845 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 COC1=CN=CC(Cl)=N1 W5506 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.2 COC1=CN=CC(I)=N1 V6755 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.2 COC1=CN=CC(N)=N1 W7894 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.2 COC1=CN=CC(O)=C1 X8916 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.2 COC1=NC(I)=CC=C1 9558AA [1,1,0,0,0,0|2,0,0]=4 255 B9R1.2 COC1=NC=CC(Cl)=C1 W8088 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.2 COC1=NC=CC(O)=C1 W7714 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.2 CSC1=CC=CC(Br)=N1 Y9968 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.2 ClCC1=CC=CC(Br)=N1 5484AJ [1,1,0,0,0,0|2,0,0]=4 259 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.2 ClCC1=NC=CC(Cl)=C1 0456AA [1,1,0,0,0,0|2,0,0]=4 261 B9R1.2 ClCC1=NC=CC(Cl)=C1 3322AA [1,1,0,0,0,0|2,0,0]=4 262 B9R1.2 N#CC1=CN=CC(Br)=N1 W8830 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.2 N#CC1=CN=CC(N)=N1 W7236 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.2 NC1=CC=CC(CO)=N1 2443AC [1,1,0,0,0,0|2,0,0]=4 265 B9R1.2 NCC1=NC(Cl)=CC=C1 9828AA [1,1,0,0,0,0|2,0,0]=4 266 B9R1.2 NCC1=NC=CC(Cl)=C1 2441AA [1,1,0,0,0,0|2,0,0]=4 267 B9R1.2 NCC1=NC=CC(Cl)=C1 W3925 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.2 NNC1=CN=CC(Cl)=N1 V7012 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.2 OCC1=CC=CC(F)=N1 V5103 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.2 OCC1=CN=CC(F)=C1 1380AB [1,1,0,0,0,0|2,0,0]=4 272 B9R1.2 OCC1=NC(Cl)=CN=C1 Z4013 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [1,1,0,0,0,0|0,0,0]=2 274 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [1,1,0,0,0,0|1,0,0]=3 276 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [1,1,0,0,0,0|2,0,0]=4 279 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,1,0,0,0,0|1,0,0]=3 281 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [1,1,0,0,0,0|1,0,0]=3 282 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,1,0,0,0,0|1,0,0]=3 284 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,1,0,0,0,0|1,0,0]=3 285 B9R1.6 FC(F)C1=CC=CC=N1 2389AA [1,1,0,0,0,0|2,0,0]=4 286 B9R1.6 FC(F)C1=CN=CC=C1 9427AE [1,1,0,0,0,0|2,0,0]=4 287 B9R1.6 N=C(N)C1=NC=CN=C1 R154 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.15 BrCC1=CC=CN=C1Br Y4790 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.15 C#CC1=NC=CN=C1N X8513 [1,1,0,0,0,0|0,0,2]=4 290 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.15 CC1=C(CCl)N=CC=C1 6035AB [1,1,0,0,0,0|2,0,0]=4 292 B9R1.15 CC1=C(CN)N=CC=C1 7725AA [1,1,0,0,0,0|2,0,0]=4 293 B9R1.15 CC1=C(CO)C=NC=C1 6388AB [1,1,0,0,0,0|2,0,0]=4 294 B9R1.15 CC1=C(CO)N=CC=C1 9578AB [1,1,0,0,0,0|2,0,0]=4 295 B9R1.15 CC1=CC=CN=C1CCl Z4758 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.15 CC1=CC=CN=C1CN Y7623 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.15 CC1=CC=NC=C1CN 4365AD [1,1,0,0,0,0|2,0,0]=4 298 B9R1.15 CC1=NC=CN=C1C=O 2084AB [1,1,0,0,0,0|1,0,1]=4 299 B9R1.15 CCC1=C(Br)C=CC=N1 5014AB [1,1,0,0,0,0|1,0,0]=3 300 B9R1.15 CCC1=C(Br)C=NC=N1 V9538 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.15 CCC1=CC=CC=C1Cl 2607AF [1,1,0,0,0,0|2,0,0]=4 302 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,1,0,0,0,0|1,0,0]=3 303 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,1,0,0,0,0|1,0,0]=3 304 B9R1.15 CCC1=CN=CN=C1Cl 7779AB [1,1,0,0,0,0|2,0,0]=4 305 B9R1.15 CCC1=NC=CN=C1Cl 9678AB [1,1,0,0,0,0|0,0,0]=2 306 B9R1.15 CNC1=C(Cl)C=CC=N1 4045AE [1,1,0,0,0,0|2,0,0]=4 307 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.15 COC1=CC=CN=C1C 5357AH [1,1,0,0,0,0|2,0,0]=4 310 B9R1.15 COC1=CC=CN=C1F Z0246 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.15 COC1=NC=CC=C1F Z5254 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.15 COC1=NC=CC=C1O Z0120 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.15 COC1=NC=CN=C1Br Z3980 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.15 COC1=NC=CN=C1I V6756 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.15 COC1=NC=CN=C1N W6434 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.15 CSC1=CC=CN=C1F Z0373 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.15 CSC1=NC=CN=C1C Z2583 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.15 ClCC1=NC=CC=C1Br V3162 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.15 ClCC1=NC=CC=C1Cl 9689AA [1,1,0,0,0,0|2,0,0]=4 320 B9R1.15 FC1=CC=CN=C1CCl V3424 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.15 N#CC1=NC=CN=C1N W4927 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 NCC1=C(Cl)C=CC=N1 6797AB [1,1,0,0,0,0|2,0,0]=4 323 B9R1.15 NCC1=NC=CC=C1F 3344AB [1,1,0,0,0,0|2,0,0]=4 324 B9R1.15 NCC1=NC=CN=C1Cl W8381 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.15 NCC1=NC=CN=C1Cl W9640 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.15 NNC1=NC=CN=C1Cl W7528 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.15 O=CC1=NC=CN=C1Cl X0372 [1,1,0,0,0,0|1,0,1]=4 328 B9R1.15 OCC1=C(Cl)C=CN=C1 Z4482 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.15 OCC1=NC=CC=C1F W5329 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.15 OCC1=NC=CC=C1O V3086 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.7 CC1=NC(CCO)=CS1 5194AJ [0,1,0,0,1,0|2,0,0]=4 332 B9R1.7 CCCC1=NN=C(N)O1 8345AE [0,1,0,0,1,0|2,0,0]=4 333 B9R1.7 CCCN1C=C(Br)C=N1 Y5280 [0,1,0,0,1,0|1,0,0]=3 334 B9R1.7 CCCN1C=NC(N)=N1 6104AE [0,1,0,0,1,0|1,0,0]=3 335 B9R1.7 CCSC1=NNC(N)=N1 4666AE [0,1,0,0,1,0|2,0,0]=4 336 B9R1.7 CCSC1=NSC(N)=N1 8208AE [0,1,0,0,1,0|2,0,0]=4 337 B9R1.7 CNCC1=CC=C(C)O1 7273AA [0,1,0,0,1,0|2,0,0]=4 338 B9R1.7 CNCC1=CN(C)N=C1 9431AA [0,1,0,0,1,0|2,0,0]=4 339 B9R1.7 NC1=CN(CCO)N=C1 V9484 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.7 NC1=NN(CCO)C=C1 Z5168 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.7 NCCC1=CC=C(Br)S1 1208AJ [0,1,0,0,1,0|2,0,0]=4 342 B9R1.7 OCCN1C=C(Br)C=N1 Y5345 [0,1,0,0,1,0|2,0,0]=4 343 B9R1.11 CCC(=O)C1=CC=CN1 2175AL [0,1,0,0,1,0|0,0,2]=4 344 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,1,0,0,1,0|1,0,0]=3 345 B9R1.12 CCCCN1C=CC=N1 Z0656 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.12 CCNCC1=CC=CS1 V6759 [0,1,0,0,1,0|1,0,0]=3 347 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,1,0,0,1,0|1,0,0]=3 348 B9R1.12 ClCCCN1C=CN=C1 4934AJ [0,1,0,0,1,0|1,0,0]=3 349 B9R1.12 N#CCCN1C=CN=C1 1704AB [0,1,0,0,1,0|1,0,1]=4 350 B9R1.12 O=CCCN1C=CC=N1 5129AH [0,1,0,0,1,0|1,0,1]=4 351 B9R1.12 OCCCC1=CC=CS1 X0200 [0,1,0,0,1,0|1,0,0]=3 352 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,1,0,0,1,0|1,0,0]=3 353 B9R1.12 OCCCN1C=CC=N1 6058AD [0,1,0,0,1,0|1,0,0]=3 354 B9R1.13 CC(C)CC1=NNC=C1 5899AJ [0,1,0,0,1,0|1,0,0]=3 355 B9R1.13 CC(N)CN1C=CC=N1 3672AF [0,1,0,0,1,0|1,0,0]=3 356 B9R1.13 CN(C)CC1=CC=CN1 4514AD [0,1,0,0,1,0|1,0,1]=4 357 B9R1.33 CC1=NC=CN1CCN X9064 [0,1,0,0,1,0|2,0,0]=4 358 B9R1.33 CCCN1N=CC=C1N 1309AE [0,1,0,0,1,0|1,0,0]=3 359 B9R1.33 CN1C=CN=C1CCN Y4448 [0,1,0,0,1,0|1,0,1]=4 360 B11R1.1 CCCCC1=CC=C(Cl)C=C1 4800AL [0,2,0,0,0,0|2,0,0]=4 361 B11R1.1 CCCOC1=CC=C(Br)C=C1 Z0571 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7274AJ [0,2,0,0,0,0|2,0,0]=4 364 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7613AC [0,2,0,0,0,0|2,0,0]=4 365 B11R1.1 CNCCC1=CC=C(Cl)C=C1 2068AE [0,2,0,0,0,0|2,0,0]=4 366 B11R1.1 CNCCC1=CC=C(O)C=C1 R512 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.1 ClC1=CC=C(CCCBr)C=C1 V7097 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 7334AE [0,2,0,0,0,0|2,0,0]=4 369 B11R1.1 N(CC)CC1=CC=C(F)C=C1 7275AJ [0,2,0,0,0,0|2,0,0]=4 370 B11R1.1 OCCCC1=CC=C(O)C=C1 W2096 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.1 OCCSC1=NC=C(Cl)C=C1 Y7869 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,2,0,0,0,0|2,0,0]=4 374 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Y6445 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,2,0,0,0,0|2,0,0]=4 376 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 W4394 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.22 COC(=O)C1=NC=C(N)N=C1 W3046 [0,2,0,0,0,0|1,0,1]=4 378 B11R1.22 COC(=O)C1=NC=C(O)N=C1 W3047 [0,2,0,0,0,0|1,0,1]=4 379 B11R1.81 CCCC1=C(O)C=C(O)C=C1 9885AA [0,2,0,0,0,0|2,0,0]=4 380 B11R1.81 CCOC1=NC=C(Br)C=C1N W9146 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.83 CCCC1=CC=C(C=O)C=C1 X2736 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.83 CCCC1=CC=C(CN)C=C1 Z4846 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.83 CCCC1=CC=C(OC)C=C1 5719AF [0,2,0,0,0,0|2,0,0]=4 384 B11R1.83 CCOC1=NC=C(C=O)C=C1 Z1211 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.192 CCCC1=CC=C(Br)C(F)=C1 W3658 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.17 CCCCC1=C(Br)C=NC=N1 V6044 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.17 CCCNC1=C(Cl)C=CC=C1 8047AB [0,2,0,0,0,0|2,0,0]=4 388 B11R1.17 CCCOC1=CC=CC=C1F V4197 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.17 CCCOC1=CC=CC=C1O 9496AB [0,2,0,0,0,0|2,0,0]=4 390 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.17 CCCOC1=NC=CC=C1I W9297 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.41 CCNC1=NC=CC=C1C#N V6394 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.86 CC(C)NC1=NC=CC=C1N 8159AD [0,2,0,0,0,0|2,0,0]=4 395 B11R1.86 CC(C)OC1=C(I)C=CC=N1 9447AE [0,2,0,0,0,0|2,0,0]=4 396 B11R1.86 CC1=NC=CN=C1OC(C)C 6045AC [0,2,0,0,0,0|1,0,0]=3 397 B11R1.182 CCOC1=NC(Br)=CN=C1N W8373 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.222 CCC(N)C1=NC=CC=C1C 7392AC [0,2,0,0,0,0|1,0,0]=3 399 B11R1.222 COC(=O)C1=NC=CN=C1C Z4722 [0,2,0,0,0,0|1,0,1]=4 400 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 W6055 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.23 COC(=O)C1=NC(C)=CN=C1 7130AJ [0,2,0,0,0,0|1,0,1]=4 402 B11R1.23 COC(=O)C1=NC(N)=CN=C1 X9326 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.24 CC1=CC=CC(CCCO)=N1 6752AE [0,2,0,0,0,0|1,0,0]=3 404 B11R1.24 CCCNC1=NC(Br)=CC=C1 Z7608 [0,2,0,0,0,0|1,0,0]=3 405 B11R1.24 CCCOC1=CC(Br)=CC=C1 Z0201 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.24 CCCOC1=CC(C)=CC=C1 V5255 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.24 CCCOC1=CN=CC(Br)=C1 V5553 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.24 CCNCC1=CC(O)=CC=C1 5753AJ [0,2,0,0,0,0|2,0,0]=4 409 B11R1.24 CCNCC1=CC=CC(Br)=C1 7269AJ [0,2,0,0,0,0|2,0,0]=4 410 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.24 OCCNC1=NC(Cl)=CC=C1 9328AD [0,2,0,0,0,0|2,0,0]=4 414 B11R1.34 CCCC1=CC(F)=CC(F)=C1 9598AA [0,2,0,0,0,0|2,0,0]=4 415 B11R1.34 CCCC1=NC(C)=NC(Cl)=C1 4941AC [0,2,0,0,0,0|2,0,0]=4 416 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 Z8259 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.189 COCC1=NC(C=O)=CC=C1 4712AC [0,2,0,0,0,0|2,0,0]=4 418 B11R1.7 CCC(C)(C)C1=CC=CC=C1 0523AB [0,2,0,0,0,0|2,0,0]=4 419 B11R1.12 CCN(CC)C1=NC=CC=C1 5597AL [0,2,0,0,0,0|2,0,0]=4 420 B11R1.12 O=CC(C=O)C1=CN=CC=N1 6246AA [0,2,0,0,0,0|1,0,1]=4 421 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [0,2,0,0,0,0|1,0,0]=3 422 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.16 CCCC(=O)C1=NC=CN=C1 9293AB [0,2,0,0,0,0|0,0,0]=2 424 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [0,2,0,0,0,0|2,0,0]=4 425 B11R1.16 CCNC(=O)C1=CC=CN=C1 8551AL [0,2,0,0,0,0|1,0,1]=4 426 B11R1.16 CCOC(=O)C1=NC=CN=C1 X5895 [0,2,0,0,0,0|0,0,1]=3 427 B11R1.16 CN(CCO)C1=NC=CC=C1 G779 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [0,2,0,0,0,0|2,0,0]=4 429 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [0,2,0,0,0,0|2,0,0]=4 430 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 V6832 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,2,0,0,0,0|1,0,0]=3 432 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [0,2,0,0,0,0|1,0,0]=3 433 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [0,2,0,0,0,0|2,0,0]=4 434 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,2,0,0,0,0|2,0,0]=4 435 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [0,2,0,0,0,0|2,0,0]=4 437 B11R1.28 CCCCCC1=NC=CC=C1 S154 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [0,2,0,0,0,0|2,0,0]=4 439 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [0,2,0,0,0,0|2,0,0]=4 440 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,2,0,0,0,0|2,0,0]=4 441 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,2,0,0,0,0|2,0,0]=4 442 B11R1.28 OCCC#CC1=CN=CC=C1 6015AJ [0,2,0,0,0,0|1,0,1]=4 443 B11R1.28 OCCC#CC1=NC=CC=C1 6013AJ [0,2,0,0,0,0|1,0,1]=4 444 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [0,2,0,0,0,0|2,0,0]=4 445 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,2,0,0,0,0|1,0,0]=3 446 B11R1.40 COC(=O)CC1=CC=CN=C1 X5277 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.40 COC(=O)CC1=CN=CC=N1 4720AB [0,2,0,0,0,0|0,0,1]=3 448 B11R1.40 N[C@H](CS)SC1=NC=CC=C1 Z6843 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [0,2,0,0,0,0|2,0,0]=4 450 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [0,2,0,0,0,0|2,0,0]=4 451 B11R1.509 FC(F)(F)CC1=CC=CN=C1 8679AC [0,2,0,0,0,0|2,0,0]=4 452 B9R2.50 C1=CC2=C(C=C1)CC2 M026 [1,0,0,1,0,0|2,0,0]=4 453 B9R2.2 C1=NC(C2CC2)=CS1 6153AJ [0,0,0,1,1,0|1,0,0]=3 454 B9R2.2 C1=NNC(C2CC2)=C1 8385AC [0,0,0,1,1,0|1,0,0]=3 455 B9R2.3 C1=CN2CCCC2=N1 8877AB [0,0,0,1,1,0|0,0,1]=3 456 B9R2.3 C1=NNC2=C1CNC2 W3414 [0,0,0,1,1,0|2,0,0]=4 457 B11R2.34 BrC1=CC=C(C2CC2)C=C1 2180AA [0,1,0,1,0,0|2,0,0]=4 458 B11R2.34 BrC1=CN=C(C2CC2)N=C1 X2004 [0,1,0,1,0,0|2,0,0]=4 459 B11R2.34 FC1=NC=C(C2CC2)C=C1 Y3567 [0,1,0,1,0,0|1,0,0]=3 460 B11R2.34 O=C1C=CC(C2CC2)=NN1 6446AJ [0,1,0,1,0,0|2,0,0]=4 461 B11R2.34 OC1=CC=C(C2CC2)C=C1 Z3817 [0,1,0,1,0,0|2,0,0]=4 462 B11R2.36 BrC1=CC2=C(C=C1)CCC2 W7361 [0,1,0,1,0,0|2,0,0]=4 463 B11R2.36 BrC1=CN=C2NCCC2=C1 X9107 [0,1,0,1,0,0|2,0,0]=4 464 B11R2.36 ClC1=CC=C2CCCC2=N1 2919AA [0,1,0,1,0,0|1,0,0]=3 465 B11R2.36 IC1=CC2=C(CCC2)N=C1 4912AA [0,1,0,1,0,0|1,0,0]=3 466 B11R2.36 OC1=CC2=C(C=C1)CCC2 X3320 [0,1,0,1,0,0|2,0,0]=4 467 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [0,1,0,1,0,0|2,0,0]=4 468 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [0,1,0,1,0,0|2,0,0]=4 469 B11R2.20 C1=CC2=C(C=N1)CCCN2 X9942 [0,1,0,1,0,0|1,0,0]=3 470 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,1,0,1,0,0|1,0,0]=3 471 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [0,1,0,1,0,0|1,0,0]=3 472 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [0,1,0,1,0,0|1,0,0]=3 473 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [0,1,0,1,0,0|1,0,0]=3 474 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [0,1,0,1,0,0|1,0,0]=3 475 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [0,1,0,1,0,0|1,0,0]=3 476 B11R2.20 C1=CC2=C(N=C1)NCCO2 0424AB [0,1,0,1,0,0|2,0,0]=4 477 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,1,0,1,0,0|2,0,0]=4 478 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [0,1,0,1,0,0|2,0,0]=4 479 B11R2.20 C1=CN=C2NCCNC2=C1 W5731 [0,1,0,1,0,0|2,0,0]=4 480 B11R2.20 C1=NC=NC2=C1CNCC2 W3415 [0,1,0,1,0,0|2,0,0]=4 481 B11R2.106 ClC1=C2CCCC2=NC=C1 W6887 [0,1,0,1,0,0|1,0,0]=3 482 B11R2.106 ClC1=NC=NC2=C1CCC2 2915AC [0,1,0,1,0,0|2,0,0]=4 483 B11R2.106 NC1=CC=CC2=C1CCC2 3576AB [0,1,0,1,0,0|2,0,0]=4 484 B11R2.106 OC1=CC=CC2=C1CCC2 W3576 [0,1,0,1,0,0|2,0,0]=4 485 B11R2.106 OC1=NC=NC2=C1CCC2 W7019 [0,1,0,1,0,0|2,0,0]=4 486 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 2974AL [0,1,0,1,0,0|1,0,1]=4 487 B11R2.35 BrC1=CC=CC(C2CC2)=C1 Y8043 [0,1,0,1,0,0|2,0,0]=4 488 B11R2.35 NC1=CC=CC(C2CC2)=C1 6624AB [0,1,0,1,0,0|2,0,0]=4 489 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,1,0,1,0,0|2,0,0]=4 490 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [0,1,0,1,0,0|2,0,0]=4 491 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [0,1,0,1,0,0|2,0,0]=4 492 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,1,0,1,0,0|1,0,1]=4 493 B11R2.1 O=C1CCC2=CC=CN=C12 W5328 [0,1,0,1,0,0|1,0,1]=4 494 B11R2.1 O=C1CCC2=NC=CC=C12 W5126 [0,1,0,1,0,0|1,0,1]=4 495 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,1,0,1,0,0|1,0,0]=3 496 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [0,1,0,1,0,0|2,0,0]=4 497 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,1,0,1,0,0|2,0,0]=4 498 B11R2.40 NC1(C2=CC=CC=C2)CC1 W8184 [0,1,0,1,0,0|2,0,0]=4 499 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,1,0,1,0,0|2,0,0]=4 500 B11R2.40 NC1(C2=CC=CC=N2)CC1 3916AA [0,1,0,1,0,0|1,0,0]=3 501 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [0,1,0,1,0,0|1,0,0]=3 502 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.1 CCC1=CC=CN1 Y7642 [1,0,0,0,1,0|0,0,1]=3 504 B7R1.1 CCC1=CSC=C1 X4152 [1,0,0,0,1,0|1,0,0]=3 505 B7R1.1 CCC1=NN=NN1 Y5035 [1,0,0,0,1,0|2,0,0]=4 506 B7R1.1 CCN1C=CC=C1 6758AE [1,0,0,0,1,0|2,0,0]=4 507 B7R1.1 CCN1C=NC=N1 8559AA [1,0,0,0,1,0|1,0,0]=3 508 B7R1.1 CNC1=NC=CS1 W7369 [1,0,0,0,1,0|2,0,0]=4 509 B7R1.1 CSC1=CC=CS1 Z0707 [1,0,0,0,1,0|2,0,0]=4 510 B7R1.1 CSC1=CSC=C1 Z0368 [1,0,0,0,1,0|2,0,0]=4 511 B7R1.1 CSC1=NC=CN1 5294AJ [1,0,0,0,1,0|1,0,1]=4 512 B7R1.1 CSC1=NC=CS1 R552 [1,0,0,0,1,0|2,0,0]=4 513 B7R1.1 CSC1=NC=NN1 9053AE [1,0,0,0,1,0|2,0,0]=4 514 B7R1.1 ClCC1=CC=NN1 0765AC [1,0,0,0,1,0|2,0,0]=4 515 B7R1.1 ClCC1=CN=CS1 Z4079 [1,0,0,0,1,0|2,0,0]=4 516 B7R1.1 ClCC1=CNC=N1 1651AB [1,0,0,0,1,0|1,0,1]=4 517 B7R1.1 ClCC1=CNC=N1 V5652 [1,0,0,0,1,0|1,0,1]=4 518 B7R1.1 ClCC1=NC=CO1 X7958 [1,0,0,0,1,0|2,0,0]=4 519 B7R1.1 ClCC1=NOC=N1 X2943 [1,0,0,0,1,0|2,0,0]=4 520 B7R1.1 NCC1=CC=CN1 X9903 [1,0,0,0,1,0|1,0,1]=4 521 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,1,0|2,0,0]=4 522 B7R1.1 NCC1=CN=CO1 7605AH [1,0,0,0,1,0|2,0,0]=4 523 B7R1.1 NCC1=CN=CO1 X9388 [1,0,0,0,1,0|2,0,0]=4 524 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,1,0|2,0,0]=4 525 B7R1.1 NCC1=CN=CS1 W3518 [1,0,0,0,1,0|2,0,0]=4 526 B7R1.1 NCC1=CN=CS1 Z3440 [1,0,0,0,1,0|2,0,0]=4 527 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|1,0,1]=4 528 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,1,0|1,0,1]=4 529 B7R1.1 NCC1=COC=N1 Y6958 [1,0,0,0,1,0|2,0,0]=4 530 B7R1.1 NCC1=CSC=C1 Y8534 [1,0,0,0,1,0|2,0,0]=4 531 B7R1.1 NCC1=CSC=N1 6554AH [1,0,0,0,1,0|2,0,0]=4 532 B7R1.1 NCC1=NC=CN1 6710AA [1,0,0,0,1,0|1,0,1]=4 533 B7R1.1 NCC1=NC=CS1 3144AC [1,0,0,0,1,0|2,0,0]=4 534 B7R1.1 NCC1=NC=CS1 W6779 [1,0,0,0,1,0|2,0,0]=4 535 B7R1.1 NCC1=NNC=C1 W5849 [1,0,0,0,1,0|2,0,0]=4 536 B7R1.1 NCC1=NNC=C1 X6524 [1,0,0,0,1,0|2,0,0]=4 537 B7R1.1 NCC1=NOC=C1 5768AA [1,0,0,0,1,0|2,0,0]=4 538 B7R1.1 OCC1=CC=NN1 1603AB [1,0,0,0,1,0|2,0,0]=4 539 B7R1.1 OCC1=CN=CO1 X9696 [1,0,0,0,1,0|2,0,0]=4 540 B7R1.1 OCC1=CNC=N1 W8610 [1,0,0,0,1,0|1,0,1]=4 541 B7R1.1 OCC1=CNN=C1 W4849 [1,0,0,0,1,0|2,0,0]=4 542 B7R1.1 OCC1=COC=N1 V3523 [1,0,0,0,1,0|2,0,0]=4 543 B7R1.1 OCC1=CSC=N1 X0268 [1,0,0,0,1,0|2,0,0]=4 544 B7R1.1 OCC1=NC=CO1 5578AA [1,0,0,0,1,0|2,0,0]=4 545 B7R1.1 OCC1=NC=CS1 W3175 [1,0,0,0,1,0|2,0,0]=4 546 B7R1.1 OCC1=NOC=C1 Z5286 [1,0,0,0,1,0|2,0,0]=4 547 B7R1.1 OCN1C=CC=N1 X8992 [1,0,0,0,1,0|2,0,0]=4 548 B7R1.1 OCN1C=NC=N1 1023AL [1,0,0,0,1,0|2,0,0]=4 549 B7R1.1 SCC1=CC=CO1 Z5487 [1,0,0,0,1,0|2,0,0]=4 550 B7R1.1 SCC1=CC=CS1 7988AJ [1,0,0,0,1,0|2,0,0]=4