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|2,0,0]=2 2 B9R1.8 C=COC1=CC=CC=C1 1277AQ [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CC#CC1=CC=CC=C1 4952AL [0,0,0,0,0,0|1,0,2]=3 4 B9R1.8 CCCC1=NC=CC=C1 C946 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 CCCC1=NC=CN=C1 6087AD [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CCNC1=CC=CC=N1 5047AL [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CCOC1=NN=CC=C1 W7464 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNCC1=CN=CC=C1 7435AH [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 COCC1=CC=CN=C1 5231AH [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 COCC1=CC=NC=C1 5493AH [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 COCC1=NC=CC=C1 V2195 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 CSCC1=CC=CC=C1 7914AF [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [0,0,0,0,0,0|1,0,2]=3 14 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.8 ClCCC1=NC=CC=C1 W3687 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 ICCC1=CC=CC=C1 4037AL [0,0,0,0,0,0|1,0,0]=1 17 B9R1.8 N#CCC1=NC=CN=C1 7112AB [0,0,0,0,0,0|2,0,2]=4 18 B9R1.8 N#COC1=CC=CC=C1 3790AL [0,0,0,0,0,0|1,0,2]=3 19 B9R1.8 NCCC1=CC=CC=C1 5784AL [0,0,0,0,0,0|0,0,0]=0 20 B9R1.8 NCCC1=CC=CN=C1 9756AD [0,0,0,0,0,0|1,0,0]=1 21 B9R1.8 NCCC1=CC=CN=C1 W8702 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.8 NCCC1=CC=NC=C1 W7604 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.8 NNCC1=CC=NC=C1 2364AF [0,0,0,0,0,0|2,0,0]=2 24 B9R1.8 N\N=C\C1=CC=CC=C1 7871AF [0,0,0,0,0,0|1,0,1]=2 25 B9R1.8 O=S=NC1=CC=CC=C1 8948AJ [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 OCCC1=CC=CC=C1 V0900 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.8 OCCC1=CC=CN=C1 Y9667 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.8 OCCC1=CC=NC=C1 6680AL [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 ONCC1=CC=CC=C1 9353AB [0,0,0,0,0,0|2,0,0]=2 30 B9R1.8 O\N=C\C1=NC=CC=C1 W9914 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.8 S=C=NC1=CC=CN=C1 Y7833 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.8 [CH2][CH][CH]C1=CC=CC=C1 8736AL [0,0,0,0,0,0|1,0,2]=3 34 B8R1.2 BrCC1=CC=NC=C1 Y7030 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 BrCC1=NC=CN=C1 5266AJ [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 CNC1=NC=CN=C1 3544AB [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 COC1=CC=NC=N1 Y3333 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 COC1=CCC=CC1 Y5373 [1,0,0,0,0,0|1,0,2]=4 39 B8R1.2 COC1=CN=CN=C1 W5346 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 CSC1=NC=CC=C1 L314 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 CSC1=NC=CC=N1 X0139 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 ClCC1=CN=CC=N1 0741AB [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 ClCC1=NC=CC=N1 W6849 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 N#CC1=CC=CC=C1 E085 [1,0,0,0,0,0|0,0,2]=3 46 B8R1.2 NCC1=CC=NC=C1 Z3385 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.2 NCC1=CN=CN=C1 W4845 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 NCC1=NC=CN=C1 W5959 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 NCC1=NC=NC=C1 9281AB [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 NNC1=CC=CN=C1 Z1664 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 NNC1=NC=CC=N1 W8254 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 NNC1=NN=CC=C1 X0228 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 OCC1=CC=NC=N1 W5525 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 OCC1=CN=CN=C1 W4842 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 OCC1=CN=NC=C1 7045AB [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 OCC1=NC=CC=N1 W6241 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [0,1,0,0,0,0|0,0,0]=1 59 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [0,1,0,0,0,0|2,0,1]=4 60 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [0,1,0,0,0,0|1,0,0]=2 61 B10R1.1 CCCC1=CN=C(Cl)N=C1 7472AD [0,1,0,0,0,0|3,0,0]=4 62 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [0,1,0,0,0,0|3,0,0]=4 64 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [0,1,0,0,0,0|2,0,0]=3 65 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [0,1,0,0,0,0|2,0,0]=3 66 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [0,1,0,0,0,0|2,0,0]=3 67 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [0,1,0,0,0,0|2,0,0]=3 69 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [0,1,0,0,0,0|3,0,0]=4 72 B10R1.1 N#CCC1=CC=C(Cl)C=N1 9688AA [0,1,0,0,0,0|1,0,2]=4 73 B10R1.1 N#CCC1=CC=C(I)C=C1 X2663 [0,1,0,0,0,0|0,0,2]=3 74 B10R1.1 N#CCC1=CC=C(N)C=C1 4180AB [0,1,0,0,0,0|0,0,2]=3 75 B10R1.1 N#CCC1=NC=C(Br)C=C1 W5332 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.1 N#CCC1=NC=C(N)C=C1 V8617 [0,1,0,0,0,0|1,0,2]=4 77 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [0,1,0,0,0,0|0,0,0]=1 78 B10R1.1 NNCC1=CC=C(Br)C=C1 3948AE [0,1,0,0,0,0|1,0,0]=2 79 B10R1.1 NNCC1=CC=C(F)C=C1 Z3849 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [0,1,0,0,0,0|1,0,0]=2 81 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [0,1,0,0,0,0|1,0,1]=3 84 B10R1.1 O=CNC1=CC=C(Cl)C=C1 3649AL [0,1,0,0,0,0|2,0,1]=4 85 B10R1.1 O=CNC1=CC=C(F)C=C1 8342AL [0,1,0,0,0,0|2,0,1]=4 86 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [0,1,0,0,0,0|1,0,0]=2 87 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [0,1,0,0,0,0|2,0,0]=3 90 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [0,1,0,0,0,0|1,0,0]=2 91 B10R1.4 C=CCC1=C(C)C=CC=C1 7968AA [0,1,0,0,0,0|1,0,1]=3 92 B10R1.4 CC1=C(NC=O)C=CC=C1 5730AL [0,1,0,0,0,0|2,0,1]=4 93 B10R1.4 CC1=CC=CC=C1CCN S579 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.4 CCCC1=CC=NC=C1C 1078AE [0,1,0,0,0,0|2,0,0]=3 95 B10R1.4 CCCC1=NC=CN=C1C 5716AL [0,1,0,0,0,0|3,0,0]=4 96 B10R1.4 CCNC1=CC=CC=C1F 8903AD [0,1,0,0,0,0|2,0,0]=3 97 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [0,1,0,0,0,0|3,0,0]=4 98 B10R1.4 CCOC1=C(Cl)C=CC=C1 9221AB [0,1,0,0,0,0|2,0,0]=3 99 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [0,1,0,0,0,0|3,0,0]=4 100 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.4 CCOC1=C(N)C=NC=C1 W3561 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [0,1,0,0,0,0|3,0,0]=4 103 B10R1.4 CCOC1=CC=CC=C1F Z0605 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.4 CCOC1=CC=CC=C1N 8719AL [0,1,0,0,0,0|2,0,0]=3 105 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [0,1,0,0,0,0|3,0,0]=4 106 B10R1.4 CNCC1=C(O)C=CC=C1 5657AL [0,1,0,0,0,0|2,0,0]=3 107 B10R1.4 CNCC1=CC=CC=C1F W6033 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.4 COCC1=C(O)C=CC=C1 5292AJ [0,1,0,0,0,0|2,0,0]=3 109 B10R1.4 COCC1=CC=CC=C1Br Z0660 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.4 ClC1=C(CCBr)C=CC=C1 8570AA [0,1,0,0,0,0|1,0,0]=2 111 B10R1.4 FC1=CC=CC=C1CCBr W9375 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.4 N#CCC1=C(N)C=CC=C1 5596AB [0,1,0,0,0,0|0,0,2]=3 113 B10R1.4 N#CCC1=CC=CN=C1Cl X8095 [0,1,0,0,0,0|1,0,2]=4 114 B10R1.4 N#CCC1=NC=CC=C1Br 1096AJ [0,1,0,0,0,0|1,0,2]=4 115 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.4 NCCC1=CC=CC=C1N X9142 [0,1,0,0,0,0|0,0,0]=1 117 B10R1.4 NNCC1=CC=CC=C1F 9039AF [0,1,0,0,0,0|1,0,0]=2 118 B10R1.4 O\N=C\C1=CC=CC=C1Cl 1838AE [0,1,0,0,0,0|2,0,1]=4 119 B10R1.10 BrCCC1=CC=CC(Br)=C1 1605AL [0,1,0,0,0,0|1,0,0]=2 120 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [0,1,0,0,0,0|1,0,1]=3 121 B10R1.10 C=CCC1=CC=CC(Cl)=C1 2150AE [0,1,0,0,0,0|1,0,1]=3 122 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,1,0,0,0,0|1,0,0]=2 123 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [0,1,0,0,0,0|2,0,0]=3 124 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [0,1,0,0,0,0|2,0,0]=3 125 B10R1.10 CCNC1=CC=CC(O)=C1 9329AB [0,1,0,0,0,0|2,0,0]=3 126 B10R1.10 CCOC1=CC=CC(Br)=N1 Y5031 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.10 CCOC1=CN=CC(Br)=C1 Z0262 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.10 CCOC1=NC=CC(Br)=C1 Z0708 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.10 CCSC1=CC(Br)=CC=C1 V3919 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.10 CNCC1=CC(Br)=CN=C1 W8153 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.10 CNCC1=CC=CC(Br)=C1 7287AJ [0,1,0,0,0,0|2,0,0]=3 132 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [0,1,0,0,0,0|2,0,0]=3 133 B10R1.10 CNCC1=CC=CC(Cl)=C1 7403AJ [0,1,0,0,0,0|2,0,0]=3 134 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.10 ClC1=CC(CCBr)=CC=C1 4892AJ [0,1,0,0,0,0|1,0,0]=2 137 B10R1.10 N#CCC1=CC(I)=CC=C1 5596AA [0,1,0,0,0,0|0,0,2]=3 138 B10R1.10 N#CCC1=CC=CC(N)=C1 Z4772 [0,1,0,0,0,0|0,0,2]=3 139 B10R1.10 N#CCC1=CC=C[N+]([O-])=C1 7647AE [0,1,0,0,0,0|1,0,2]=4 140 B10R1.10 N#CCC1=NC(Br)=CC=C1 2196AA [0,1,0,0,0,0|1,0,2]=4 141 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [0,1,0,0,0,0|1,0,0]=2 142 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.10 NNCC1=CC(Cl)=CC=C1 7157AB [0,1,0,0,0,0|1,0,0]=2 144 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.10 NOCC1=CC=CC(F)=C1 7198AB [0,1,0,0,0,0|1,0,0]=2 146 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.10 S=C=NC1=CC(Br)=CC=C1 7235AD [0,1,0,0,0,0|2,0,1]=4 150 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [0,1,0,0,0,0|1,0,1]=3 151 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [0,1,0,0,0,0|1,0,2]=4 152 B10R1.15 C=CS(=O)C1=CC=CC=C1 0500AB [0,1,0,0,0,0|2,0,1]=4 153 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [0,1,0,0,0,0|0,0,0]=1 155 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [0,1,0,0,0,0|2,0,0]=3 159 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [0,1,0,0,0,0|2,0,0]=3 160 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [0,1,0,0,0,0|3,0,0]=4 162 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [0,1,0,0,0,0|2,0,0]=3 163 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [0,1,0,0,0,0|1,0,0]=2 164 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [0,1,0,0,0,0|3,0,0]=4 166 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [0,1,0,0,0,0|3,0,0]=4 167 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [0,1,0,0,0,0|3,0,0]=4 168 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [0,1,0,0,0,0|3,0,0]=4 169 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [0,1,0,0,0,0|0,0,0]=1 170 B10R1.15 NC(CO)C1=CC=CC=N1 1465AJ [0,1,0,0,0,0|2,0,0]=3 171 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [0,1,0,0,0,0|0,0,0]=1 172 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [0,1,0,0,0,0|1,0,0]=2 173 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [0,1,0,0,0,0|1,0,0]=2 174 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [0,1,0,0,0,0|0,0,0]=1 175 B10R1.15 N\C(=N/O)C1=CC=CC=C1 3148AL [0,1,0,0,0,0|2,0,1]=4 176 B10R1.15 O=C(CBr)C1=CC=CC=N1 5318AB [0,1,0,0,0,0|2,0,1]=4 177 B10R1.15 O=C(CBr)C1=CC=CN=C1 C113 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7120AL [0,1,0,0,0,0|2,0,1]=4 179 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7846AF [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 O=C(O[Ag])C1=CC=CC=C1 7828AF [0,1,0,0,0,0|2,0,1]=4 181 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [0,1,0,0,0,0|1,0,0]=2 182 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [0,1,0,0,0,0|1,0,1]=3 183 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [0,1,0,0,0,0|1,0,1]=3 184 B10R1.17 C=COCC1=CC=CC=C1 1335AL [0,1,0,0,0,0|1,0,1]=3 185 B10R1.17 CCOCC1=CC=CC=C1 S562 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,1,0,0,0,0|1,0,0]=2 187 B10R1.17 COCSC1=CC=CC=C1 8208AL [0,1,0,0,0,0|2,0,0]=3 188 B10R1.17 ClCC#CC1=CC=CC=C1 U705 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [0,1,0,0,0,0|1,0,0]=2 190 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.17 NCCCC1=CC=NC=C1 3209AB [0,1,0,0,0,0|1,0,0]=2 192 B10R1.17 NCCOC1=NC=CC=C1 W5199 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.17 NNCCC1=CC=CC=C1 4752AE [0,1,0,0,0,0|0,0,0]=1 194 B10R1.17 OCC#CC1=CC=NC=C1 5668AJ [0,1,0,0,0,0|2,0,1]=4 195 B10R1.17 OCCNC1=CC=CC=C1 V7623 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [0,1,0,0,0,0|2,0,1]=4 197 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [0,1,0,0,0,0|2,0,1]=4 199 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [0,1,0,0,0,0|2,0,1]=4 200 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [0,1,0,0,0,0|1,0,0]=2 201 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [0,1,0,0,0,0|1,0,1]=3 204 B10R1.18 NC(=O)CC1=NC=CC=N1 Z3997 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 4299AL [0,1,0,0,0,0|1,0,1]=3 206 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [0,1,0,0,0,0|1,0,1]=3 207 B10R1.18 NC(=S)NC1=CC=NC=C1 5284AD [0,1,0,0,0,0|2,0,1]=4 208 B8R0.4 CCC\C=C\C=C\CO Z4325 [0,0,1,0,0,0|2,0,1]=4 209 B10R2.6 C1=CC=C(C2CC2)C=C1 V8423 [0,0,0,1,0,0|1,0,0]=2 210 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [0,0,0,1,0,0|2,0,0]=3 211 B10R2.7 C1=CC2=C(C=N1)C=NN2 Y5369 [0,0,0,1,0,0|2,0,1]=4 212 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [0,0,0,1,0,0|3,0,0]=4 213 B10R2.7 C1=CC2=C(C=N1)CNC2 X6082 [0,0,0,1,0,0|3,0,0]=4 214 B10R2.7 C1=CC2=C(C=N1)NN=C2 W5024 [0,0,0,1,0,0|2,0,1]=4 215 B10R2.7 C1=CC2=C(N=C1)NC=N2 8735AA [0,0,0,1,0,0|2,0,1]=4 216 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [0,0,0,1,0,0|1,0,0]=2 217 B10R2.7 C1=CC=C2[S+]=CSC2=C1 Z3507 [0,0,0,1,0,0|2,0,1]=4 218 B10R2.7 C1=CN=C2C=NNC2=C1 W5033 [0,0,0,1,0,0|2,0,1]=4 219 B10R2.320 BrC1=CC2=CC=CC=C12 K940 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.8 CCCC1=NC=CS1 9241AA [0,0,0,0,1,0|3,0,0]=4 221 B8R1.8 CCCN1C=CC=N1 Z0507 [0,0,0,0,1,0|3,0,0]=4 222 B8R1.8 CNCC1=CC=CS1 V7562 [0,0,0,0,1,0|3,0,0]=4 223 B8R1.8 CNCC1=CC=CS1 W7142 [0,0,0,0,1,0|3,0,0]=4 224 B8R1.8 CSCC1=CC=CO1 9711AJ [0,0,0,0,1,0|3,0,0]=4 225 B8R1.8 ClCCN1C=CC=N1 X5413 [0,0,0,0,1,0|3,0,0]=4 226 B8R1.8 ClCCN1C=CN=C1 9891AA [0,0,0,0,1,0|3,0,0]=4 227 B8R1.8 NCCC1=CN=CN1 Y9749 [0,0,0,0,1,0|2,0,0]=3 228 B8R1.8 NCCC1=CSC=C1 Y8818 [0,0,0,0,1,0|1,0,0]=2 229 B8R1.8 NCCC1=NC=CS1 Y1661 [0,0,0,0,1,0|2,0,0]=3 230 B8R1.8 NCCC1=NC=CS1 Y8064 [0,0,0,0,1,0|2,0,0]=3 231 B8R1.8 NCCN1C=CN=C1 V2457 [0,0,0,0,1,0|2,0,0]=3 232 B8R1.8 OCCC1=CNC=N1 W8955 [0,0,0,0,1,0|3,0,0]=4 233 B8R1.8 OCCN1C=CC=N1 V7005 [0,0,0,0,1,0|3,0,0]=4 234 B7R0.1 CC\C=C\C=C\CO 3900AB [1,0,1,0,0,0|1,0,1]=4 235 B7R1.3 BrC1=CC=NC=C1 V7564 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 CC1=CN=CN=C1 V0658 [2,0,0,0,0,0|2,0,0]=4 237 B7R1.3 NC1=CC=CC=C1 7089AL [2,0,0,0,0,0|0,0,0]=2 238 B7R1.3 NC1=CC=CC=C1 7670AF [2,0,0,0,0,0|0,0,0]=2 239 B7R1.3 NC1=CC=NC=C1 2631AL [2,0,0,0,0,0|1,0,0]=3 240 B7R1.3 NC1=NN=CC=C1 W9214 [2,0,0,0,0,0|2,0,0]=4 241 B7R1.3 O=C1C=CC=CO1 X6757 [2,0,0,0,0,0|2,0,0]=4 242 B7R1.3 O=C1C=COC=C1 1768AA [2,0,0,0,0,0|2,0,0]=4 243 B7R1.3 OC1=CC=NC=C1 8186AJ [2,0,0,0,0,0|2,0,0]=4 244 B7R1.3 S=C1C=CC=CN1 1497AL [2,0,0,0,0,0|2,0,0]=4 245 B9R0.17 C=CCN(CC=C)CCN 8384AD [0,1,1,0,0,0|1,0,1]=4 246 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,1,0,0,0,0|1,0,0]=3 247 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [1,1,0,0,0,0|2,0,0]=4 249 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.1 CC1=NC=C(NN)C=C1 W9248 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [1,1,0,0,0,0|1,0,0]=3 252 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [1,1,0,0,0,0|0,0,0]=2 253 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [1,1,0,0,0,0|0,0,0]=2 254 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [1,1,0,0,0,0|1,0,0]=3 256 B9R1.1 CNC1=CC=C(Br)C=C1 Z5039 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.1 CNC1=CC=C(O)C=C1 V3446 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.1 CNC1=CN=C(Cl)C=C1 3620AA [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 CNC1=NC=C(Br)C=C1 W8725 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 CNC1=NC=C(F)C=C1 Z2980 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.1 COC1=CC=[N+]([O-])C=C1 5637AH [1,1,0,0,0,0|2,0,0]=4 262 B9R1.1 COC1=CN=C(F)C=C1 Z0149 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.1 COC1=CN=C(I)C=C1 V3638 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.1 COC1=CN=C(N)C=C1 X3522 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.1 COC1=NC=C(F)C=C1 C523 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.1 CSC1=CC=C(C)C=C1 I356 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 ClC1=NC=C(CBr)C=C1 X4352 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,1,0,0,0,0|0,0,2]=4 272 B9R1.1 NCC1=CC=C(Br)N=C1 X9441 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.1 NCC1=CC=C(N)C=N1 2034AC [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,1,0,0,0,0|0,0,0]=2 275 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [1,1,0,0,0,0|1,0,0]=3 276 B9R1.1 NCC1=CN=C(F)C=C1 0174AP [1,1,0,0,0,0|1,0,0]=3 277 B9R1.1 NCC1=NC=C(Cl)C=C1 Y9067 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.1 NNC1=CC=C(Br)C=C1 V2246 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.1 NNC1=CC=C(Cl)C=C1 2700AL [1,1,0,0,0,0|1,0,0]=3 280 B9R1.1 NNC1=CC=C(Cl)C=C1 6459AL [1,1,0,0,0,0|1,0,0]=3 281 B9R1.1 NNC1=CC=C(I)C=C1 0740AP [1,1,0,0,0,0|1,0,0]=3 282 B9R1.1 NNC1=CC=C(I)C=C1 H231 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.1 O=CC1=CC=C([O-])C=C1 6126AE [1,1,0,0,0,0|1,0,1]=4 284 B9R1.1 OCC1=NC=C(Cl)C=C1 Y8215 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.1 OCC1=NC=C(F)C=C1 W8534 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 [O-][N+]1=CC=C(CO)C=C1 1337AQ [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 C#CC1=CC(O)=CC=C1 Y3233 [1,1,0,0,0,0|0,0,2]=4 288 B9R1.2 C#CC1=CC=CC(C)=C1 1949AC [1,1,0,0,0,0|0,0,2]=4 289 B9R1.2 C=CC1=CC(C)=CC=C1 9514AF [1,1,0,0,0,0|0,0,2]=4 290 B9R1.2 C=CC1=CC=CC(Br)=C1 0458AB [1,1,0,0,0,0|0,0,2]=4 291 B9R1.2 C=CC1=CC=CC(Cl)=C1 V0700 [1,1,0,0,0,0|0,0,2]=4 292 B9R1.2 CC1=CC(CCl)=NC=C1 W8059 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 CC1=CC(CN)=NC=C1 4854AH [1,1,0,0,0,0|1,0,0]=3 294 B9R1.2 CC1=CC(NN)=NC=C1 W6502 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 CC1=CC=CC(CCl)=N1 W5316 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 CC1=CC=CC(CN)=N1 W7727 [1,1,0,0,0,0|1,0,0]=3 297 B9R1.2 CC1=CN=CC(CCl)=C1 X8521 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 CC1=CN=CC(CO)=C1 W9908 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 CC1=NC(CCl)=CC=C1 W9926 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 CC1=NC(CN)=CC=C1 3382AC [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 CC1=NC(CN)=CC=C1 6493AA [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 CC1=NC=CC(CO)=C1 X8748 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 CCC1=CN=CC(Br)=C1 W3099 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.2 CCC1=NC(Cl)=NC=C1 5511AJ [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 CNC1=CC(F)=CC=C1 V3481 [1,1,0,0,0,0|1,0,0]=3 306 B9R1.2 CNC1=CC=CC(Br)=C1 Z5012 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.2 CNC1=CC=CC(Cl)=N1 4697AC [1,1,0,0,0,0|2,0,0]=4 308 B9R1.2 CNC1=CC=CC(F)=C1 W4192 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.2 CNC1=CC=CC(O)=C1 7298AA [1,1,0,0,0,0|1,0,0]=3 310 B9R1.2 CNC1=NC(Br)=CC=C1 V8759 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.2 COC1=CC(C)=NC=C1 V4613 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 COC1=CC(F)=NC=C1 Z0274 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 COC1=CC(N)=CC=C1 8186AL [1,1,0,0,0,0|1,0,0]=3 314 B9R1.2 COC1=CC=CC(F)=N1 Z7765 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.2 COC1=CN=CC(Cl)=C1 V9845 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.2 COC1=CN=CC(O)=C1 X8916 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.2 COC1=NC(I)=CC=C1 9558AA [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 COC1=NC=CC(Cl)=C1 W8088 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.2 COC1=NC=CC(O)=C1 W7714 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.2 CSC1=CC=CC(Br)=N1 Y9968 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.2 CSC1=CC=CC(Cl)=C1 L521 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.2 ClCC1=CC(Cl)=NC=C1 W9907 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [1,1,0,0,0,0|1,0,0]=3 324 B9R1.2 ClCC1=CC=CC(Br)=N1 5484AJ [1,1,0,0,0,0|2,0,0]=4 325 B9R1.2 ClCC1=CC=CC(Cl)=N1 W9938 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 ClCC1=NC=CC(Cl)=C1 0456AA [1,1,0,0,0,0|2,0,0]=4 327 B9R1.2 ClCC1=NC=CC(Cl)=C1 3322AA [1,1,0,0,0,0|2,0,0]=4 328 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [1,1,0,0,0,0|1,0,1]=4 329 B9R1.2 NC1=CC(CCl)=CC=N1 3076AA [1,1,0,0,0,0|2,0,0]=4 330 B9R1.2 NC1=CC=CC(CF)=C1 5712AJ [1,1,0,0,0,0|1,0,0]=3 331 B9R1.2 NC1=CC=CC(CO)=N1 2443AC [1,1,0,0,0,0|2,0,0]=4 332 B9R1.2 NCC1=CC(Br)=NC=C1 Z5201 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.2 NCC1=CC(Cl)=NC=C1 Y5114 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.2 NCC1=NC(Cl)=CC=C1 9828AA [1,1,0,0,0,0|1,0,0]=3 335 B9R1.2 NCC1=NC=CC(Cl)=C1 2441AA [1,1,0,0,0,0|1,0,0]=3 336 B9R1.2 NCC1=NC=CC(Cl)=C1 W3925 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.2 NNC1=CC(Cl)=NC=C1 W7971 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.2 NNC1=NC=CC(Br)=C1 Z6437 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.2 OCC1=CC(Cl)=CN=C1 V0671 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 OCC1=CC(F)=NC=C1 Y5012 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.2 OCC1=CC=CC(F)=N1 V5103 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.2 OCC1=CC=CC(I)=C1 W7081 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.2 OCC1=CN=CC(F)=C1 1380AB [1,1,0,0,0,0|2,0,0]=4 344 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [1,1,0,0,0,0|2,0,0]=4 345 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [1,1,0,0,0,0|1,0,0]=3 347 B9R1.6 CC(N)C1=CC=NC=C1 W3800 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.6 CC(N)C1=CC=NC=C1 W6570 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [1,1,0,0,0,0|2,0,0]=4 352 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [1,1,0,0,0,0|1,0,0]=3 353 B9R1.6 C[C@@H](N)C1=CC=NC=C1 4791AJ [1,1,0,0,0,0|1,0,0]=3 354 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [1,1,0,0,0,0|1,0,0]=3 356 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,1,0,0,0,0|1,0,0]=3 357 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [1,1,0,0,0,0|1,0,0]=3 358 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [1,1,0,0,0,0|1,0,0]=3 360 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,1,0,0,0,0|1,0,0]=3 361 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,1,0,0,0,0|1,0,0]=3 362 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.6 FC(F)C1=CC=CC=N1 2389AA [1,1,0,0,0,0|2,0,0]=4 364 B9R1.6 FC(F)C1=CN=CC=C1 9427AE [1,1,0,0,0,0|2,0,0]=4 365 B9R1.6 N=C(N)C1=NC=CC=C1 Z3386 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [1,1,0,0,0,0|1,0,1]=4 367 B9R1.15 BrCC1=CC=CN=C1Br Y4790 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 C#CC1=C(C)C=CC=C1 1940AC [1,1,0,0,0,0|0,0,2]=4 369 B9R1.15 C#CC1=C(F)C=CC=C1 X7110 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.15 C=CC1=C(Cl)C=CC=C1 0459AB [1,1,0,0,0,0|0,0,2]=4 371 B9R1.15 C=CC1=CC=CC=C1F 7948AJ [1,1,0,0,0,0|0,0,2]=4 372 B9R1.15 C=CC1=CC=CC=C1N Y8954 [1,1,0,0,0,0|0,0,2]=4 373 B9R1.15 CC1=C(CBr)C=NC=C1 Z4138 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.15 CC1=C(CCl)N=CC=C1 6035AB [1,1,0,0,0,0|2,0,0]=4 375 B9R1.15 CC1=C(CN)N=CC=C1 7725AA [1,1,0,0,0,0|1,0,0]=3 376 B9R1.15 CC1=C(CO)C=NC=C1 6388AB [1,1,0,0,0,0|2,0,0]=4 377 B9R1.15 CC1=C(CO)N=CC=C1 9578AB [1,1,0,0,0,0|2,0,0]=4 378 B9R1.15 CC1=CC=CN=C1CCl Z4758 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.15 CC1=CC=CN=C1CN Y7623 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.15 CC1=CC=CN=C1NN 6684AB [1,1,0,0,0,0|2,0,0]=4 381 B9R1.15 CC1=CC=NC=C1CN 4365AD [1,1,0,0,0,0|1,0,0]=3 382 B9R1.15 CCC1=C(Br)C=CC=N1 5014AB [1,1,0,0,0,0|1,0,0]=3 383 B9R1.15 CCC1=C(Br)C=NC=N1 V9538 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.15 CCC1=CC=CC=C1Cl 2607AF [1,1,0,0,0,0|0,0,0]=2 385 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,1,0,0,0,0|1,0,0]=3 386 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,1,0,0,0,0|1,0,0]=3 387 B9R1.15 CCC1=CN=CN=C1Cl 7779AB [1,1,0,0,0,0|2,0,0]=4 388 B9R1.15 CCC1=NC=CN=C1Cl 9678AB [1,1,0,0,0,0|2,0,0]=4 389 B9R1.15 CNC1=C(Cl)C=CC=N1 4045AE [1,1,0,0,0,0|2,0,0]=4 390 B9R1.15 CNC1=CC=CC=C1Br V9809 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.15 CNC1=CC=CC=C1C Z6802 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.15 CNC1=CC=CC=C1Cl 7929AJ [1,1,0,0,0,0|1,0,0]=3 393 B9R1.15 CNC1=CC=CC=C1F Z7993 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.15 COC1=C(Cl)C=NC=C1 4785AC [1,1,0,0,0,0|2,0,0]=4 396 B9R1.15 COC1=C(F)C=NC=C1 1352AA [1,1,0,0,0,0|2,0,0]=4 397 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.15 COC1=CC=CN=C1C 5357AH [1,1,0,0,0,0|2,0,0]=4 399 B9R1.15 COC1=CC=CN=C1F Z0246 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.15 COC1=CC=CNC1=O 0705AB [1,1,0,0,0,0|2,0,0]=4 401 B9R1.15 COC1=CC=CNC1=O 4471AF [1,1,0,0,0,0|2,0,0]=4 402 B9R1.15 COC1=NC=CC=C1F Z5254 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.15 COC1=NC=CC=C1O Z0120 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.15 CSC1=CC=CC=C1Cl L223 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.15 CSC1=CC=CN=C1F Z0373 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.15 ClCC1=NC=CC=C1Br V3162 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.15 ClCC1=NC=CC=C1Cl 9689AA [1,1,0,0,0,0|2,0,0]=4 408 B9R1.15 FC1=CC=CN=C1CCl V3424 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 NC1=C(CO)C=CN=C1 Z2696 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 NCC1=C(Br)C=NC=C1 4743AJ [1,1,0,0,0,0|1,0,0]=3 411 B9R1.15 NCC1=C(Cl)C=CC=N1 6797AB [1,1,0,0,0,0|1,0,0]=3 412 B9R1.15 NCC1=C(I)C=CC=C1 5274AB [1,1,0,0,0,0|0,0,0]=2 413 B9R1.15 NCC1=NC=CC=C1F 3344AB [1,1,0,0,0,0|1,0,0]=3 414 B9R1.15 NCC1=NC=CN=C1Cl W8381 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.15 NCC1=NC=CN=C1Cl W9640 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.15 NNC1=C(Cl)C=CC=C1 2065AL [1,1,0,0,0,0|1,0,0]=3 417 B9R1.15 NNC1=C(Cl)N=CC=C1 2782AA [1,1,0,0,0,0|2,0,0]=4 418 B9R1.15 OCC1=C(Br)C=NC=C1 W3202 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 OCC1=C(Cl)C=CN=C1 Z4482 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.15 OCC1=C(S)C=CC=C1 3883AE [1,1,0,0,0,0|1,0,0]=3 421 B9R1.15 OCC1=NC=CC=C1F W5329 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.15 OCC1=NC=CC=C1O V3086 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.7 NCCC1=CC=C(Br)S1 1208AJ [0,1,0,0,1,0|1,0,0]=3 424 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,1,0,0,1,0|2,0,0]=4 425 B9R1.12 CCNCC1=CC=CS1 V6759 [0,1,0,0,1,0|2,0,0]=4 426 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,1,0,0,1,0|2,0,0]=4 427 B9R1.12 OCCCC1=CC=CS1 X0200 [0,1,0,0,1,0|2,0,0]=4 428 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,1,0,0,1,0|2,0,0]=4 429 B9R1.13 CC(N)CN1C=CC=N1 3672AF [0,1,0,0,1,0|2,0,0]=4 430 B9R1.33 CC1=NC=CN1CCN X9064 [0,1,0,0,1,0|2,0,0]=4 431 B9R1.33 CN1C=CN=C1CCN Y4448 [0,1,0,0,1,0|2,0,0]=4 432 B11R1.1 BrCCOC1=CC=C(Br)C=C1 Z0310 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.1 C=CCCC1=CC=C(F)C=C1 7681AD [0,2,0,0,0,0|1,0,0]=3 434 B11R1.1 C=CCOC1=CC=C(C)C=C1 7037AL [0,2,0,0,0,0|1,0,1]=4 435 B11R1.1 CC1=CC=C(CN=C=O)C=C1 5756AE [0,2,0,0,0,0|1,0,1]=4 436 B11R1.1 CC1=CC=C(CN=C=S)C=C1 Y8894 [0,2,0,0,0,0|1,0,1]=4 437 B11R1.1 CC1=CC=C(OCCN)C=C1 Y8506 [0,2,0,0,0,0|0,0,0]=2 438 B11R1.1 CC1=CC=C(OCCO)C=C1 7911AL [0,2,0,0,0,0|1,0,0]=3 439 B11R1.1 CC1=CC=C(SCC#N)C=C1 1025AB [0,2,0,0,0,0|0,0,2]=4 440 B11R1.1 CCCCC1=CC=C(Cl)C=C1 4800AL [0,2,0,0,0,0|1,0,0]=3 441 B11R1.1 CCCOC1=CC=C(Br)C=C1 Z0571 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7274AJ [0,2,0,0,0,0|1,0,0]=3 444 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7613AC [0,2,0,0,0,0|1,0,0]=3 445 B11R1.1 CNCCC1=CC=C(Cl)C=C1 2068AE [0,2,0,0,0,0|0,0,0]=2 446 B11R1.1 CNCCC1=CC=C(O)C=C1 R512 [0,2,0,0,0,0|0,0,0]=2 447 B11R1.1 ClC1=CC=C(CCCBr)C=C1 V7097 [0,2,0,0,0,0|1,0,0]=3 448 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 7334AE [0,2,0,0,0,0|1,0,0]=3 449 B11R1.1 FC1=CC=C(OCCBr)C=C1 0479AE [0,2,0,0,0,0|1,0,0]=3 450 B11R1.1 N#CCCC1=CC=C(Br)C=C1 8533AB [0,2,0,0,0,0|0,0,1]=3 451 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 0196AE [0,2,0,0,0,0|0,0,1]=3 452 B11R1.1 N#CCOC1=CC=C(Br)C=C1 V5695 [0,2,0,0,0,0|0,0,2]=4 453 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 6217AD [0,2,0,0,0,0|0,0,2]=4 454 B11R1.1 N#CSCC1=CC=C(Cl)C=C1 7087AD [0,2,0,0,0,0|0,0,2]=4 455 B11R1.1 N(CC)CC1=CC=C(F)C=C1 7275AJ [0,2,0,0,0,0|1,0,0]=3 456 B11R1.1 NCCOC1=CC=C(Cl)C=C1 V4925 [0,2,0,0,0,0|0,0,0]=2 457 B11R1.1 NCCOC1=CC=C(F)C=C1 Y9609 [0,2,0,0,0,0|0,0,0]=2 458 B11R1.1 O=CCCC1=CC=C(Br)C=C1 2565AC [0,2,0,0,0,0|1,0,0]=3 459 B11R1.1 O=CCCC1=CC=C(F)C=C1 W7539 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.1 OCCCC1=CC=C(O)C=C1 W2096 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.1 OCCOC1=CC=C(Br)C=C1 V5363 [0,2,0,0,0,0|1,0,0]=3 462 B11R1.1 OCCSC1=CC=C(Cl)C=C1 6217AA [0,2,0,0,0,0|1,0,0]=3 463 B11R1.1 OCCSC1=NC=C(Cl)C=C1 Y7869 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 8226AC [0,2,0,0,0,0|1,0,1]=4 465 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [0,2,0,0,0,0|1,0,1]=4 466 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [0,2,0,0,0,0|1,0,1]=4 467 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [0,2,0,0,0,0|1,0,1]=4 468 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,2,0,0,0,0|1,0,0]=3 471 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 Z8271 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Z0788 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.20 CC(C)OC1=CC=C(N)C=C1 V4472 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.20 CC(C)OC1=CC=C(O)C=C1 Y9996 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.20 CC1=CC=C(OC(F)F)C=C1 4991AD [0,2,0,0,0,0|2,0,0]=4 476 B11R1.20 FC(F)OC1=CC=C(Cl)C=C1 0130AF [0,2,0,0,0,0|2,0,0]=4 477 B11R1.20 FC(F)OC1=CC=C(I)C=C1 X8132 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 1638AC [0,2,0,0,0,0|0,0,1]=3 479 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 Y6115 [0,2,0,0,0,0|0,0,1]=3 480 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 6622AD [0,2,0,0,0,0|1,0,1]=4 481 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 V3810 [0,2,0,0,0,0|0,0,1]=3 482 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [0,2,0,0,0,0|1,0,1]=4 483 B11R1.20 OC1=CC=C(OC(F)F)C=C1 V8554 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 5818AB [0,2,0,0,0,0|0,0,2]=4 485 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 1635AE [0,2,0,0,0,0|1,0,1]=4 486 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,2,0,0,0,0|1,0,0]=3 487 B11R1.22 CCN(C)C1=CC=C(N)C=C1 9950AH [0,2,0,0,0,0|2,0,0]=4 488 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4163AD [0,2,0,0,0,0|1,0,0]=3 489 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 Y5103 [0,2,0,0,0,0|0,0,1]=3 490 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 L165 [0,2,0,0,0,0|0,0,1]=3 491 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 W8329 [0,2,0,0,0,0|0,0,1]=3 492 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 X8275 [0,2,0,0,0,0|1,0,1]=4 493 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6772 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 0082AE [0,2,0,0,0,0|1,0,1]=4 495 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 5413AB [0,2,0,0,0,0|1,0,1]=4 496 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 2026AL [0,2,0,0,0,0|1,0,0]=3 497 B11R1.81 CC1=CC(Br)=CC=C1CC#N 0971AB [0,2,0,0,0,0|0,0,2]=4 498 B11R1.81 CC1=CC=C(CCN)C(C)=C1 1998AC [0,2,0,0,0,0|0,0,0]=2 499 B11R1.81 CCCC1=C(O)C=C(O)C=C1 9885AA [0,2,0,0,0,0|1,0,0]=3 500 B11R1.81 CCNC1=CC=C(Br)C=C1F Z8384 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.81 CCOC1=C(N)C=C(C)C=C1 7117AE [0,2,0,0,0,0|2,0,0]=4 502 B11R1.81 CCOC1=CC=C(Br)C=C1C Z0852 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.81 CCOC1=CC=C(F)C=C1Br Z0512 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl W6552 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.81 CNCC1=CC=C(Cl)C=C1Cl W9307 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.81 N#CCC1=C(Br)C=C(F)C=C1 X2196 [0,2,0,0,0,0|0,0,2]=4 507 B11R1.81 N#CCC1=C(F)C=C(Cl)C=C1 X2194 [0,2,0,0,0,0|0,0,2]=4 508 B11R1.81 N#CCC1=CC=C(Br)C=C1F A886 [0,2,0,0,0,0|0,0,2]=4 509 B11R1.81 NOCC1=C(Cl)C=C(F)C=C1 3474AB [0,2,0,0,0,0|1,0,0]=3 510 B11R1.81 NOCC1=CC=C(Cl)C=C1Cl 4710AE [0,2,0,0,0,0|1,0,0]=3 511 B11R1.81 OCCC1=C(Cl)C=C(Cl)C=C1 X2190 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.83 C#CC1=CC=C(CC#N)C=C1 W5671 [0,2,0,0,0,0|0,0,2]=4 513 B11R1.83 CCC1=CC=C(CNC)C=C1 V6675 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.83 CCCC1=CC=C(C=O)C=C1 X2736 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.83 CCCC1=CC=C(CN)C=C1 Z4846 [0,2,0,0,0,0|1,0,0]=3 516 B11R1.83 CCCC1=CC=C(OC)C=C1 5719AF [0,2,0,0,0,0|1,0,0]=3 517 B11R1.83 CCNC1=CC=C(C#N)C=C1 V6077 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.83 CCNC1=CC=C(C=O)C=C1 2473AC [0,2,0,0,0,0|2,0,0]=4 519 B11R1.83 CCOC1=CC=C(CBr)C=C1 2225AB [0,2,0,0,0,0|2,0,0]=4 520 B11R1.83 CCOC1=CC=C(CC)C=C1 6498AL [0,2,0,0,0,0|2,0,0]=4 521 B11R1.83 CCOC1=CC=C(CN)C=C1 V7284 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.83 CNCC1=CC=C(C#N)C=C1 V5324 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.83 CNCC1=CC=C(OC)C=C1 W8997 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.83 COC1=CC=C(CC=O)C=C1 8366AB [0,2,0,0,0,0|1,0,1]=4 525 B11R1.83 COC1=CC=C(CNN)C=C1 4174AD [0,2,0,0,0,0|1,0,0]=3 526 B11R1.83 COC1=CC=C(CNN)C=C1 9971AL [0,2,0,0,0,0|1,0,0]=3 527 B11R1.83 COCC1=CC=C(CN)C=C1 6002AA [0,2,0,0,0,0|2,0,0]=4 528 B11R1.83 CSC1=CC=C(CC#N)C=C1 2273AE [0,2,0,0,0,0|0,0,2]=4 529 B11R1.83 N#CC1=CC=C(CCBr)C=C1 Z5069 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.83 OCCC1=CC=C(CO)C=C1 6635AB [0,2,0,0,0,0|1,0,0]=3 531 B11R1.192 CC1=C(F)C=C(CC#N)C=C1 2281AB [0,2,0,0,0,0|0,0,2]=4 532 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [0,2,0,0,0,0|0,0,0]=2 533 B11R1.192 CCCC1=CC=C(Br)C(F)=C1 W3658 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.192 CCNC1=CC(Cl)=C(Cl)C=C1 4258AH [0,2,0,0,0,0|2,0,0]=4 535 B11R1.192 CCOC1=CC=C(Br)C(C)=C1 W7841 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.192 CCOC1=CC=C(Br)C(Cl)=C1 W5338 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.192 CCOC1=CC=C(Br)C(F)=C1 Y3634 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.192 CCOC1=CC=C(F)C(F)=C1 Z0247 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.192 CNCC1=CC(C)=C(C)C=C1 8414AA [0,2,0,0,0,0|2,0,0]=4 540 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [0,2,0,0,0,0|2,0,0]=4 541 B11R1.192 FC1=CC=C(CCBr)C=C1F Z4292 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.192 N#CCC1=CC=C(Cl)C(F)=C1 W4837 [0,2,0,0,0,0|0,0,2]=4 543 B11R1.192 N#CCC1=CC=C(F)C(Br)=C1 V6223 [0,2,0,0,0,0|0,0,2]=4 544 B11R1.192 OCCC1=CC(Cl)=C(F)C=C1 4055AB [0,2,0,0,0,0|1,0,0]=3 545 B11R1.192 OCCC1=CC=C(Cl)C(Cl)=C1 X8265 [0,2,0,0,0,0|1,0,0]=3 546 B11R1.13 N#CCC1=C(F)C(Br)=CC=C1 3840AC [0,2,0,0,0,0|0,0,2]=4 547 B11R1.13 OCCC1=CC=CC(Cl)=C1Cl X9091 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.13 OCCC1=CC=CC(F)=C1F X9665 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.17 C=CCOC1=C(C)C=CC=C1 7034AL [0,2,0,0,0,0|1,0,1]=4 550 B11R1.17 CC1=C(CN=C=S)C=CC=C1 5365AD [0,2,0,0,0,0|1,0,1]=4 551 B11R1.17 CC1=CC=CC=C1OCC#N W6590 [0,2,0,0,0,0|0,0,2]=4 552 B11R1.17 CCCNC1=C(Cl)C=CC=C1 8047AB [0,2,0,0,0,0|1,0,0]=3 553 B11R1.17 CCCOC1=CC=CC=C1F V4197 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.17 CCCOC1=CC=CC=C1O 9496AB [0,2,0,0,0,0|1,0,0]=3 555 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.17 CCCOC1=NC=CC=C1I W9297 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.17 FC1=C(CN=C=S)C=CC=C1 7326AE [0,2,0,0,0,0|1,0,1]=4 558 B11R1.17 N#CCOC1=C(F)C=CC=C1 5562AJ [0,2,0,0,0,0|0,0,2]=4 559 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [0,2,0,0,0,0|0,0,0]=2 560 B11R1.17 O=CCCC1=CC=CC=C1F W3826 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,2,0,0,0,0|1,0,0]=3 562 B11R1.41 C=CCC1=CC=CC=C1OC 0626AQ [0,2,0,0,0,0|1,0,1]=4 563 B11R1.41 CNCC1=C(OC)C=CC=C1 0580AC [0,2,0,0,0,0|2,0,0]=4 564 B11R1.41 COC1=C(CCBr)C=CC=C1 1683AE [0,2,0,0,0,0|1,0,0]=3 565 B11R1.41 COC1=CC=CC=C1CCO Z5088 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.41 COC1=CC=CC=C1CNN 2282AC [0,2,0,0,0,0|1,0,0]=3 567 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 9403AJ [0,2,0,0,0,0|1,0,1]=4 568 B11R1.86 CC(C)OC1=CC=CC=C1F Y3731 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.86 CC(C)OC1=CC=CC=C1N W5162 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.86 CC(C)SC1=CC=CC=C1N V7063 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.86 CC1=CC=CC=C1OC(C)C V5254 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.86 CC1=CC=CC=C1OC(F)F 3070AE [0,2,0,0,0,0|2,0,0]=4 573 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,2,0,0,0,0|2,0,0]=4 574 B11R1.86 FC(F)OC1=CC=CC=C1Br X8171 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.86 N=C(N)NC1=C(Cl)C=CC=C1 7455AH [0,2,0,0,0,0|1,0,1]=4 576 B11R1.86 NC(=O)CC1=CC=CC=C1Br V7162 [0,2,0,0,0,0|0,0,1]=3 577 B11R1.86 NC(=O)CC1=CC=CC=C1Cl 5189AJ [0,2,0,0,0,0|0,0,1]=3 578 B11R1.86 NC(=O)NC1=CC=CC=C1Br 5783AA [0,2,0,0,0,0|1,0,1]=4 579 B11R1.182 CC1=CC=C(C)C(CCO)=C1 X8364 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.182 CC1=CC=C(F)C=C1CC#N X2660 [0,2,0,0,0,0|0,0,2]=4 581 B11R1.182 CCOC1=CC(Br)=CC=C1F Z1051 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.182 CCOC1=CC(C)=CC=C1Br Z1243 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.182 CCOC1=CC(Cl)=CC=C1F X8232 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.182 CCOC1=CC(F)=CC=C1Br Z0930 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.182 CCOC1=CC(N)=CC=C1Br N686 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 6110AJ [0,2,0,0,0,0|2,0,0]=4 587 B11R1.182 CNCC1=CC(Cl)=CC=C1O 6130AJ [0,2,0,0,0,0|2,0,0]=4 588 B11R1.182 N#CCC1=CC(Br)=CC=C1Br 1577AC [0,2,0,0,0,0|0,0,2]=4 589 B11R1.182 N#CCC1=CC(Br)=CC=C1Cl 1284AA [0,2,0,0,0,0|0,0,2]=4 590 B11R1.182 N#CCC1=CC(Br)=CC=C1F Z4581 [0,2,0,0,0,0|0,0,2]=4 591 B11R1.182 N#CCC1=CC(Cl)=CC=C1Cl X2192 [0,2,0,0,0,0|0,0,2]=4 592 B11R1.182 N#CCC1=CC(F)=CC=C1Br V8692 [0,2,0,0,0,0|0,0,2]=4 593 B11R1.222 CC(C#N)C1=CC=CC=C1Br V6737 [0,2,0,0,0,0|0,0,2]=4 594 B11R1.222 CC(C#N)C1=CC=CC=C1Cl 1799AC [0,2,0,0,0,0|0,0,2]=4 595 B11R1.222 CCC(=O)C1=CC=CC=C1C V4211 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.222 CCC(=O)C1=CC=CC=C1Cl Z4973 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.222 CCC(N)C1=NC=CC=C1C 7392AC [0,2,0,0,0,0|2,0,0]=4 598 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [0,2,0,0,0,0|2,0,0]=4 599 B11R1.222 N#CC(O)C1=C(Cl)C=CC=C1 6052AA [0,2,0,0,0,0|0,0,2]=4 600 B11R1.222 NCC(=O)C1=CC=CC=C1F W9587 [0,2,0,0,0,0|0,0,1]=3 601 B11R1.222 NNC(=O)C1=CC=CC=C1Br 9319AD [0,2,0,0,0,0|1,0,1]=4 602 B11R1.222 O=C(CBr)C1=CC=CC=C1F V7141 [0,2,0,0,0,0|1,0,1]=4 603 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl X3149 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.605 CCOC1=C(F)C=CC=C1Br Z1069 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.605 CCOC1=C(F)C=CC=C1F 6245AC [0,2,0,0,0,0|2,0,0]=4 606 B11R1.605 CNCC1=C(Cl)C=CC=C1Cl W9308 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.605 N#CCC1=C(F)C=CC=C1F V2278 [0,2,0,0,0,0|0,0,2]=4 608 B11R1.605 NNCC1=C(F)C=CC=C1Cl 1724AF [0,2,0,0,0,0|1,0,0]=3 609 B11R1.605 OCCC1=C(Cl)C=CC=C1Cl X2191 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.23 CCC(=O)C1=CC(C)=CC=C1 7236AB [0,2,0,0,0,0|1,0,1]=4 611 B11R1.23 CCN(N)C1=CC=CC(C)=C1 4837AL [0,2,0,0,0,0|2,0,0]=4 612 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AB [0,2,0,0,0,0|1,0,1]=4 613 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 8613AC [0,2,0,0,0,0|1,0,1]=4 614 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 V6203 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.23 NNC(=O)C1=CC=CC(I)=C1 2340AE [0,2,0,0,0,0|1,0,1]=4 616 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 Y1217 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.24 CC1=CC(CN=C=S)=CC=C1 1791AE [0,2,0,0,0,0|1,0,1]=4 618 B11R1.24 CC1=CC(OCCN)=CC=C1 7393AE [0,2,0,0,0,0|0,0,0]=2 619 B11R1.24 CC1=CC=CC(CCCO)=N1 6752AE [0,2,0,0,0,0|2,0,0]=4 620 B11R1.24 CCCNC1=NC(Br)=CC=C1 Z7608 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.24 CCCOC1=CC(Br)=CC=C1 Z0201 [0,2,0,0,0,0|1,0,0]=3 622 B11R1.24 CCCOC1=CC(C)=CC=C1 V5255 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.24 CCCOC1=CN=CC(Br)=C1 V5553 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.24 CCNCC1=CC(O)=CC=C1 5753AJ [0,2,0,0,0,0|1,0,0]=3 625 B11R1.24 CCNCC1=CC=CC(Br)=C1 7269AJ [0,2,0,0,0,0|1,0,0]=3 626 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.24 COCOC1=CC=CC(F)=C1 5292AA [0,2,0,0,0,0|2,0,0]=4 629 B11R1.24 FC1=CC=CC(CN=C=S)=C1 7121AE [0,2,0,0,0,0|1,0,1]=4 630 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [0,2,0,0,0,0|0,0,1]=3 631 B11R1.24 N#CCOC1=CC=CC(Br)=C1 V9591 [0,2,0,0,0,0|0,0,2]=4 632 B11R1.24 NC1=CC=CC(OCCO)=C1 4547AE [0,2,0,0,0,0|1,0,0]=3 633 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.24 OCCNC1=NC(Cl)=CC=C1 9328AD [0,2,0,0,0,0|2,0,0]=4 635 B11R1.34 C=CCC1=CC(F)=CC(Cl)=C1 0377AF [0,2,0,0,0,0|1,0,1]=4 636 B11R1.34 CC1=CC(F)=CC(CC#N)=C1 7257AB [0,2,0,0,0,0|0,0,2]=4 637 B11R1.34 CCCC1=CC(F)=CC(F)=C1 9598AA [0,2,0,0,0,0|1,0,0]=3 638 B11R1.34 CCOC1=CC(F)=CC(Br)=C1 0825AB [0,2,0,0,0,0|2,0,0]=4 639 B11R1.34 N#CCC1=CC(Cl)=CC(Cl)=C1 W6729 [0,2,0,0,0,0|0,0,2]=4 640 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 Z5028 [0,2,0,0,0,0|0,0,0]=2 641 B11R1.34 OCCC1=CC(Cl)=CC(Cl)=C1 X8409 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 8966AA [0,2,0,0,0,0|1,0,1]=4 643 B11R1.157 CC1=CC=CC(OC(C)C)=C1 V4050 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 W7149 [0,2,0,0,0,0|0,0,1]=3 645 B11R1.157 OC1=CC=CC(OC(F)F)=C1 4639AC [0,2,0,0,0,0|2,0,0]=4 646 B11R1.189 C=CCC1=CC(OC)=CC=C1 8319AD [0,2,0,0,0,0|1,0,1]=4 647 B11R1.189 CCOC1=CC=CC(CN)=C1 3509AF [0,2,0,0,0,0|2,0,0]=4 648 B11R1.189 CNCC1=CC(C#N)=CC=C1 5045AC [0,2,0,0,0,0|2,0,0]=4 649 B11R1.189 CNCC1=CC(OC)=CC=C1 5753AB [0,2,0,0,0,0|2,0,0]=4 650 B11R1.189 COC1=CC(CCBr)=CC=C1 7285AD [0,2,0,0,0,0|1,0,0]=3 651 B11R1.189 COC1=CC(CCO)=CC=C1 6862AB [0,2,0,0,0,0|1,0,0]=3 652 B11R1.189 N#CC1=CC=CC(CCO)=C1 0016AB [0,2,0,0,0,0|1,0,0]=3 653 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 X7093 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.7 CC(C)(CO)C1=CC=CC=C1 1041AB [0,2,0,0,0,0|1,0,0]=3 655 B11R1.7 CCC(C)(C)C1=CC=CC=C1 0523AB [0,2,0,0,0,0|1,0,0]=3 656 B11R1.7 CCS(=N)(=O)C1=CC=CC=C1 9057AJ [0,2,0,0,0,0|2,0,0]=4 657 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 9605AA [0,2,0,0,0,0|1,1,0]=4 658 B11R1.7 O=S(=O)(CF)C1=CC=CC=C1 0643AB [0,2,0,0,0,0|2,0,0]=4 659 B11R1.12 CCC(CC)C1=CC=NC=C1 6200AL [0,2,0,0,0,0|2,0,0]=4 660 B11R1.12 CCN(CC)C1=CC=CC=C1 5729AF [0,2,0,0,0,0|2,0,0]=4 661 B11R1.12 CCN(CC)C1=CC=CC=C1 8878AJ [0,2,0,0,0,0|2,0,0]=4 662 B11R1.12 CCN(N=O)C1=CC=CC=C1 8933AJ [0,2,0,0,0,0|2,0,0]=4 663 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,2,0,0,0,0|2,0,0]=4 664 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 9242AA [0,2,0,0,0,0|1,0,0]=3 665 B11R1.12 N#CC(C=O)C1=CC=CC=C1 6061AE [0,2,0,0,0,0|0,0,2]=4 666 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,2,0,0,0,0|1,0,0]=3 667 B11R1.16 CCCC(=O)C1=CC=NC=C1 8728AA [0,2,0,0,0,0|2,0,0]=4 668 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [0,2,0,0,0,0|2,0,0]=4 669 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [0,2,0,0,0,0|1,0,0]=3 671 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 1965AB [0,2,0,0,0,0|2,0,0]=4 672 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,2,0,0,0,0|0,0,0]=2 673 B11R1.16 CN(CCO)C1=NC=CC=C1 G779 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [0,2,0,0,0,0|0,0,0]=2 675 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,2,0,0,0,0|1,0,1]=4 676 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 8510AJ [0,2,0,0,0,0|1,0,1]=4 677 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [0,2,0,0,0,0|0,0,1]=3 678 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [0,2,0,0,0,0|0,0,0]=2 679 B11R1.36 CC(=O)C(Br)C1=CC=CC=C1 U801 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,2,0,0,0,0|1,0,1]=4 681 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [0,2,0,0,0,0|2,0,0]=4 682 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [0,2,0,0,0,0|2,0,0]=4 683 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [0,2,0,0,0,0|1,0,0]=3 684 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,2,0,0,0,0|1,0,0]=3 685 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 5584AL [0,2,0,0,0,0|1,0,1]=4 687 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C 4191AL [0,2,0,0,0,0|2,0,0]=4 688 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 U170 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [0,2,0,0,0,0|0,0,1]=3 690 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [0,2,0,0,0,0|0,0,1]=3 691 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [0,2,0,0,0,0|0,0,1]=3 692 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 6492AB [0,2,0,0,0,0|1,0,1]=4 693 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [0,2,0,0,0,0|1,0,1]=4 694 B11R1.28 C=CCNCC1=CC=CC=C1 3700AL [0,2,0,0,0,0|1,0,0]=3 695 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [0,2,0,0,0,0|1,0,0]=3 696 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [0,2,0,0,0,0|1,0,0]=3 697 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [0,2,0,0,0,0|2,0,0]=4 698 B11R1.28 CCCCCC1=NC=CC=C1 S154 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [0,2,0,0,0,0|0,0,0]=2 700 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [0,2,0,0,0,0|1,0,0]=3 701 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [0,2,0,0,0,0|2,0,0]=4 702 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,2,0,0,0,0|0,0,0]=2 703 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,2,0,0,0,0|1,0,0]=3 704 B11R1.28 O=CNCCC1=CC=CC=C1 1248AQ [0,2,0,0,0,0|0,0,0]=2 705 B11R1.28 OCCC#CC1=CC=NC=C1 6016AJ [0,2,0,0,0,0|2,0,0]=4 706 B11R1.28 OCCC#CC1=CN=CC=C1 6015AJ [0,2,0,0,0,0|2,0,0]=4 707 B11R1.28 OCCC#CC1=NC=CC=C1 6013AJ [0,2,0,0,0,0|2,0,0]=4 708 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [0,2,0,0,0,0|1,0,0]=3 709 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,2,0,0,0,0|1,0,0]=3 710 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [0,2,0,0,0,0|0,0,1]=3 711 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,2,0,0,0,0|1,0,0]=3 712 B11R1.40 NNC(=O)NC1=CC=CC=C1 5322AE [0,2,0,0,0,0|1,0,1]=4 713 B11R1.40 N[C@H](CS)SC1=NC=CC=C1 Z6843 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 6479AD [0,2,0,0,0,0|0,0,1]=3 715 B11R1.40 O=C(CBr)NC1=CC=CC=C1 7553AB [0,2,0,0,0,0|1,0,1]=4 716 B11R1.40 O=C(CCl)NC1=CC=CC=C1 V6785 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [0,2,0,0,0,0|1,0,1]=4 718 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [0,2,0,0,0,0|1,0,1]=4 719 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [0,2,0,0,0,0|1,0,0]=3 720 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,2,0,0,0,0|0,0,1]=3 721 B11R1.91 N=C(N)NCC1=CC=CC=C1 8483AD [0,2,0,0,0,0|0,0,1]=3 722 B11R1.91 NC(=O)COC1=CC=CC=C1 6854AE [0,2,0,0,0,0|0,0,1]=3 723 B11R1.91 NC(=S)COC1=CC=CC=C1 9422AJ [0,2,0,0,0,0|0,0,1]=3 724 B11R1.91 O=C(O)CCC1=CC=NC=C1 Y9675 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [0,2,0,0,0,0|1,0,0]=3 726 B11R1.509 FC(F)(Cl)OC1=CC=CC=C1 V7697 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.509 FC(F)(F)CC1=CC=CC=C1 7211AD [0,2,0,0,0,0|1,0,0]=3 728 B11R1.509 FC(F)(F)CC1=CC=CN=C1 8679AC [0,2,0,0,0,0|2,0,0]=4 729 B11R1.509 FC(F)(F)OC1=CC=CC=C1 I078 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.509 FC(F)(F)SC1=CC=CC=C1 3931AE [0,2,0,0,0,0|2,0,0]=4 731 B9R2.50 C1=CC2=C(C=C1)CC2 M026 [1,0,0,1,0,0|0,0,0]=2 732 B11R2.34 BrC1=CC=C(C2CC2)C=C1 2180AA [0,1,0,1,0,0|1,0,0]=3 733 B11R2.34 FC1=NC=C(C2CC2)C=C1 Y3567 [0,1,0,1,0,0|2,0,0]=4 734 B11R2.34 OC1=CC=C(C2CC2)C=C1 Z3817 [0,1,0,1,0,0|1,0,0]=3 735 B11R2.36 BrC1=CC2=C(C=C1)CCC2 W7361 [0,1,0,1,0,0|1,0,0]=3 736 B11R2.36 BrC1=CC2=C(C=C1)CCO2 9851AA [0,1,0,1,0,0|1,0,0]=3 737 B11R2.36 BrC1=CC2=C(C=C1)CNC2 W9520 [0,1,0,1,0,0|2,0,0]=4 738 B11R2.36 BrC1=CC2=C(C=C1)CNC2 X9690 [0,1,0,1,0,0|2,0,0]=4 739 B11R2.36 BrC1=CC=C2CC=CC2=C1 1731AC [0,1,0,1,0,0|1,0,1]=4 740 B11R2.36 BrC1=CC=C2N=CNC2=C1 Z8414 [0,1,0,1,0,0|1,0,1]=4 741 B11R2.36 BrC1=CN=C2NCCC2=C1 X9107 [0,1,0,1,0,0|1,0,0]=3 742 B11R2.36 CC1=CC2=C(C=C1)C=NN2 Y5523 [0,1,0,1,0,0|1,0,1]=4 743 B11R2.36 CC1=CC2=C(C=C1)CCN2 3678AC [0,1,0,1,0,0|0,0,0]=2 744 B11R2.36 CC1=CC2=C(C=C1)OCO2 3348AH [0,1,0,1,0,0|2,0,0]=4 745 B11R2.36 ClC1=CC2=C(C=C1)C=NN2 W7956 [0,1,0,1,0,0|1,0,1]=4 746 B11R2.36 ClC1=CC2=C(C=C1)CCN2 W6731 [0,1,0,1,0,0|0,0,0]=2 747 B11R2.36 ClC1=CC2=C(C=C1)CCN2 W9278 [0,1,0,1,0,0|0,0,0]=2 748 B11R2.36 ClC1=CC2=C(C=C1)NCC2 U905 [0,1,0,1,0,0|0,0,0]=2 749 B11R2.36 ClC1=CC2=C(C=C1)NCC2 X8558 [0,1,0,1,0,0|0,0,0]=2 750 B11R2.36 ClC1=CC2=C(C=C1)OCO2 8706AE [0,1,0,1,0,0|2,0,0]=4 751 B11R2.36 ClC1=CC=C2CCCC2=N1 2919AA [0,1,0,1,0,0|2,0,0]=4 752 B11R2.36 FC1=CC2=C(C=C1)C=NN2 W5643 [0,1,0,1,0,0|1,0,1]=4 753 B11R2.36 FC1=CC2=C(C=C1)CNC2 W7863 [0,1,0,1,0,0|2,0,0]=4 754 B11R2.36 FC1=CC2=C(C=C1)NN=N2 6112AD [0,1,0,1,0,0|2,0,0]=4 755 B11R2.36 FC1=CC=C2NC=NC2=C1 Y8134 [0,1,0,1,0,0|1,0,1]=4 756 B11R2.36 FC1=CC=C2NCCC2=C1 1560AB [0,1,0,1,0,0|0,0,0]=2 757 B11R2.36 IC1=CC2=C(C=C1)CCN2 Y5205 [0,1,0,1,0,0|0,0,0]=2 758 B11R2.36 IC1=CC2=C(C=C1)N=CN2 2310AC [0,1,0,1,0,0|1,0,1]=4 759 B11R2.36 IC1=CC2=C(C=CN2)C=C1 Z3913 [0,1,0,1,0,0|0,0,2]=4 760 B11R2.36 IC1=CC2=C(CCC2)N=C1 4912AA [0,1,0,1,0,0|2,0,0]=4 761 B11R2.36 IC1=CC=C2OCCC2=C1 5975AA [0,1,0,1,0,0|1,0,0]=3 762 B11R2.36 IC1=CC=C2OCOC2=C1 Y6308 [0,1,0,1,0,0|2,0,0]=4 763 B11R2.36 NC1=CC2=C(C=C1)COC2 Z4952 [0,1,0,1,0,0|2,0,0]=4 764 B11R2.36 NC1=CC=C2OCCC2=C1 V2390 [0,1,0,1,0,0|1,0,0]=3 765 B11R2.36 OC1=CC2=C(C=C1)CCC2 X3320 [0,1,0,1,0,0|1,0,0]=3 766 B11R2.36 OC1=CC2=C(C=C1)NCC2 8845AA [0,1,0,1,0,0|0,0,0]=2 767 B11R2.36 OC1=CC=C2NC=NC2=C1 Y7586 [0,1,0,1,0,0|1,0,1]=4 768 B11R2.10 CC1=CC2=C(C=CC=C2)C1 1054AB [0,1,0,1,0,0|1,0,1]=4 769 B11R2.10 CC1CC2=C(C=CC=C2)O1 5226AL [0,1,0,1,0,0|1,0,0]=3 770 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,1,0,1,0,0|0,0,2]=4 771 B11R2.10 NN1N=C2C=CC=CC2=N1 5496AL [0,1,0,1,0,0|2,0,0]=4 772 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [0,1,0,1,0,0|1,0,1]=4 773 B11R2.10 O=C1CC2=CC=CN=C2N1 W7017 [0,1,0,1,0,0|1,0,1]=4 774 B11R2.10 O=C1CC2=CN=CC=C2N1 6234AA [0,1,0,1,0,0|1,0,1]=4 775 B11R2.20 C1=CC2=C(C=C1)CC=CC2 U920 [0,1,0,1,0,0|1,0,1]=4 776 B11R2.20 C1=CC2=C(C=C1)CCC=C2 5653AF [0,1,0,1,0,0|1,0,0]=3 777 B11R2.20 C1=CC2=C(C=C1)NCCN2 W5637 [0,1,0,1,0,0|0,0,0]=2 778 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [0,1,0,1,0,0|1,0,0]=3 779 B11R2.20 C1=CC2=C(C=N1)CCCN2 X9942 [0,1,0,1,0,0|1,0,0]=3 780 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,1,0,1,0,0|1,0,0]=3 781 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [0,1,0,1,0,0|1,0,0]=3 782 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [0,1,0,1,0,0|1,0,0]=3 783 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [0,1,0,1,0,0|1,0,0]=3 784 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [0,1,0,1,0,0|1,0,0]=3 785 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [0,1,0,1,0,0|1,0,0]=3 786 B11R2.20 C1=CC2=C(N=C1)NCCO2 0424AB [0,1,0,1,0,0|1,0,0]=3 787 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,1,0,1,0,0|1,0,0]=3 788 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [0,1,0,1,0,0|2,0,0]=4 789 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,1,0,1,0,0|0,0,0]=2 790 B11R2.20 C1=CN=C2NCCNC2=C1 W5731 [0,1,0,1,0,0|1,0,0]=3 791 B11R2.20 C1=NC=NC2=C1CNCC2 W3415 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.106 BrC1=C2CCNC2=CC=C1 3117AA [0,1,0,1,0,0|0,0,0]=2 793 B11R2.106 BrC1=C2CNCC2=CC=C1 X7059 [0,1,0,1,0,0|2,0,0]=4 794 B11R2.106 BrC1=C2COCC2=CC=C1 6100AJ [0,1,0,1,0,0|2,0,0]=4 795 B11R2.106 BrC1=C2NN=NC2=CC=C1 Z6851 [0,1,0,1,0,0|2,0,0]=4 796 B11R2.106 BrC1=C2OCCC2=CC=C1 W4337 [0,1,0,1,0,0|1,0,0]=3 797 B11R2.106 BrC1=C2OCOC2=CC=C1 W7766 [0,1,0,1,0,0|2,0,0]=4 798 B11R2.106 BrC1=CC=CC2=C1CC=C2 8481AA [0,1,0,1,0,0|1,0,1]=4 799 B11R2.106 BrC1=CC=CC2=C1CCN2 W8895 [0,1,0,1,0,0|0,0,0]=2 800 B11R2.106 BrC1=CC=CC2=C1NCC2 W7478 [0,1,0,1,0,0|0,0,0]=2 801 B11R2.106 CC1=C2CCNC2=CC=C1 9326AB [0,1,0,1,0,0|0,0,0]=2 802 B11R2.106 CC1=C2N=CNC2=CC=C1 6207AJ [0,1,0,1,0,0|1,0,1]=4 803 B11R2.106 CC1=CC=CC2=C1C=NN2 W5366 [0,1,0,1,0,0|1,0,1]=4 804 B11R2.106 CC1=CC=CC2=C1NN=C2 W5367 [0,1,0,1,0,0|1,0,1]=4 805 B11R2.106 ClC1=C2CC=CC2=CC=C1 7309AB [0,1,0,1,0,0|1,0,1]=4 806 B11R2.106 ClC1=C2CCCC2=NC=C1 W6887 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.106 ClC1=CC=CC2=C1CCN2 U925 [0,1,0,1,0,0|0,0,0]=2 808 B11R2.106 ClC1=NC=NC2=C1CCN2 W3570 [0,1,0,1,0,0|2,0,0]=4 809 B11R2.106 FC1=C2CCNC2=CC=C1 3671AA [0,1,0,1,0,0|0,0,0]=2 810 B11R2.106 FC1=C2CNCC2=CC=C1 X7064 [0,1,0,1,0,0|2,0,0]=4 811 B11R2.106 FC1=CC=CC2=C1C=NN2 W5562 [0,1,0,1,0,0|1,0,1]=4 812 B11R2.106 FC1=CC=CC2=C1NN=C2 W5563 [0,1,0,1,0,0|1,0,1]=4 813 B11R2.106 IC1=C2NC=CC2=CC=C1 4944AC [0,1,0,1,0,0|0,0,2]=4 814 B11R2.106 IC1=C2OCOC2=CC=C1 3107AC [0,1,0,1,0,0|2,0,0]=4 815 B11R2.106 IC1=CC=CC2=C1C=CN2 2593AC [0,1,0,1,0,0|0,0,2]=4 816 B11R2.106 IC1=CC=CC2=C1C=NN2 Y4536 [0,1,0,1,0,0|1,0,1]=4 817 B11R2.106 NC1=C2CCNC2=CC=C1 7418AB [0,1,0,1,0,0|0,0,0]=2 818 B11R2.106 NC1=C2CCOC2=CC=C1 W7338 [0,1,0,1,0,0|1,0,0]=3 819 B11R2.106 NC1=C2COCC2=CC=C1 6069AJ [0,1,0,1,0,0|2,0,0]=4 820 B11R2.106 NC1=C2NC=NC2=CC=C1 W6271 [0,1,0,1,0,0|1,0,1]=4 821 B11R2.106 NC1=C2OCCC2=CC=C1 Y7438 [0,1,0,1,0,0|1,0,0]=3 822 B11R2.106 NC1=C2OCOC2=CC=C1 W3628 [0,1,0,1,0,0|2,0,0]=4 823 B11R2.106 NC1=CC=CC2=C1CCC2 3576AB [0,1,0,1,0,0|1,0,0]=3 824 B11R2.106 NC1=CC=CC2=C1CNC2 5585AC [0,1,0,1,0,0|2,0,0]=4 825 B11R2.106 NC1=CC=CC2=C1NN=C2 Y5344 [0,1,0,1,0,0|1,0,1]=4 826 B11R2.106 OC1=CC=CC2=C1C=NN2 Y5565 [0,1,0,1,0,0|1,0,1]=4 827 B11R2.106 OC1=CC=CC2=C1CCC2 W3576 [0,1,0,1,0,0|1,0,0]=3 828 B11R2.106 OC1=CC=CC2=C1CCN2 Z2880 [0,1,0,1,0,0|0,0,0]=2 829 B11R2.106 OC1=CC=CC2=C1N=CN2 0291AC [0,1,0,1,0,0|1,0,1]=4 830 B11R2.106 OC1=CC=CC2=C1NN=C2 W8580 [0,1,0,1,0,0|1,0,1]=4 831 B11R2.106 [O-][N+]1=CC=CC2=C1CCC2 2974AL [0,1,0,1,0,0|2,0,0]=4 832 B11R2.35 BrC1=CC=CC(C2CC2)=C1 Y8043 [0,1,0,1,0,0|1,0,0]=3 833 B11R2.35 ClC1=CC=CC(C2CO2)=C1 1738AL [0,1,0,1,0,0|1,0,0]=3 834 B11R2.35 ClC1=NC=CC(C2CC2)=C1 Z0257 [0,1,0,1,0,0|2,0,0]=4 835 B11R2.35 NC1=CC=CC(C2CC2)=C1 6624AB [0,1,0,1,0,0|1,0,0]=3 836 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [0,1,0,1,0,0|1,0,1]=4 837 B11R2.1 CC1=NNC2=C1C=CC=C2 W5365 [0,1,0,1,0,0|1,0,1]=4 838 B11R2.1 CN1N=CC2=C1C=CC=C2 Z9755 [0,1,0,1,0,0|1,0,1]=4 839 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,1,0,1,0,0|1,0,0]=3 840 B11R2.1 NC1=NCC2=C1C=CC=C2 2334AL [0,1,0,1,0,0|0,0,1]=3 841 B11R2.1 NC1=NSC2=CC=CC=C21 D152 [0,1,0,1,0,0|1,0,1]=4 842 B11R2.1 NN1C=CC2=C1C=CC=C2 Z4839 [0,1,0,1,0,0|0,0,2]=4 843 B11R2.1 NN1C=NC2=CC=CC=C21 0699AQ [0,1,0,1,0,0|1,0,1]=4 844 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [0,1,0,1,0,0|0,0,0]=2 845 B11R2.1 NN1N=CC2=CC=CC=C21 3874AB [0,1,0,1,0,0|1,0,1]=4 846 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [0,1,0,1,0,0|0,0,0]=2 847 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [0,1,0,1,0,0|0,0,0]=2 848 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,1,0,1,0,0|2,0,0]=4 849 B11R2.1 O=C1CCC2=CC=CN=C12 W5328 [0,1,0,1,0,0|2,0,0]=4 850 B11R2.1 O=C1CCC2=NC=CC=C12 W5126 [0,1,0,1,0,0|2,0,0]=4 851 B11R2.1 O=C1CSC2=CC=CC=C12 X9761 [0,1,0,1,0,0|1,0,1]=4 852 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,1,0,1,0,0|2,0,0]=4 853 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [0,1,0,1,0,0|0,0,0]=2 854 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,1,0,1,0,0|0,0,0]=2 855 B11R2.40 CC1(C2=CC=CC=C2)CO1 5786AL [0,1,0,1,0,0|1,0,0]=3 856 B11R2.40 NC1(C2=CC=CC=C2)CC1 W8184 [0,1,0,1,0,0|1,0,0]=3 857 B11R2.40 NC1(C2=CC=CC=C2)CC1 X2090 [0,1,0,1,0,0|1,0,0]=3 858 B11R2.40 NC1(C2=CC=CC=N2)CC1 3916AA [0,1,0,1,0,0|2,0,0]=4 859 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [0,1,0,1,0,0|1,0,0]=3 860 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.1 CCC1=CC=CN1 Y7642 [1,0,0,0,1,0|1,0,0]=3 862 B7R1.1 CCC1=CSC=C1 X4152 [1,0,0,0,1,0|1,0,0]=3 863 B7R1.1 CCN1C=CC=C1 6758AE [1,0,0,0,1,0|1,0,0]=3 864 B7R1.1 CSC1=CC=CS1 Z0707 [1,0,0,0,1,0|2,0,0]=4 865 B7R1.1 CSC1=CSC=C1 Z0368 [1,0,0,0,1,0|2,0,0]=4 866 B7R1.1 NCC1=CC=CN1 X9903 [1,0,0,0,1,0|1,0,0]=3 867 B7R1.1 NCC1=CC=NO1 6076AB [1,0,0,0,1,0|2,0,0]=4 868 B7R1.1 NCC1=CN=CO1 7605AH [1,0,0,0,1,0|2,0,0]=4 869 B7R1.1 NCC1=CN=CO1 X9388 [1,0,0,0,1,0|2,0,0]=4 870 B7R1.1 NCC1=CN=CS1 7784AH [1,0,0,0,1,0|2,0,0]=4 871 B7R1.1 NCC1=CN=CS1 W3518 [1,0,0,0,1,0|2,0,0]=4 872 B7R1.1 NCC1=CN=CS1 Z3440 [1,0,0,0,1,0|2,0,0]=4 873 B7R1.1 NCC1=CNC=C1 4647AC [1,0,0,0,1,0|1,0,0]=3 874 B7R1.1 NCC1=CNC=N1 W7724 [1,0,0,0,1,0|2,0,0]=4 875 B7R1.1 NCC1=COC=N1 Y6958 [1,0,0,0,1,0|2,0,0]=4 876 B7R1.1 NCC1=CSC=C1 Y8534 [1,0,0,0,1,0|1,0,0]=3 877 B7R1.1 NCC1=CSC=N1 6554AH [1,0,0,0,1,0|2,0,0]=4 878 B7R1.1 NCC1=NC=CN1 6710AA [1,0,0,0,1,0|2,0,0]=4 879 B7R1.1 NCC1=NC=CS1 3144AC [1,0,0,0,1,0|2,0,0]=4 880 B7R1.1 NCC1=NC=CS1 W6779 [1,0,0,0,1,0|2,0,0]=4 881 B7R1.1 NCC1=NNC=C1 W5849 [1,0,0,0,1,0|2,0,0]=4 882 B7R1.1 NCC1=NNC=C1 X6524 [1,0,0,0,1,0|2,0,0]=4 883 B7R1.1 NCC1=NOC=C1 5768AA [1,0,0,0,1,0|2,0,0]=4 884 B7R1.1 SCC1=CC=CO1 Z5487 [1,0,0,0,1,0|2,0,0]=4 885 B7R1.1 SCC1=CC=CS1 7988AJ [1,0,0,0,1,0|2,0,0]=4