0 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(Cl)C1=CC=CC=C1 10204 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 CC(N)C1=CC=CC=C1 21079 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 CN(C)C1=CC=NC=C1 2377 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 CN(C)C1=CN=CN=C1 27648 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 CP(C)C1=CC=CC=C1 6420 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 C[C@@H](N)c1ccccc1 6026 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 C[C@@H](N)c1ccccc1 6060 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 C[C@@H](N)c1ccccc1 9918 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 C[C@@H](O)c1ccccc1 6851 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.6 C[C@H](N)c1ccccc1 6025 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 C[C@H](N)c1ccccc1 6061 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 C[C@H](O)c1ccccc1 6858 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.6 ClP(Cl)C1=CC=CC=C1 6469 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 FC(Cl)C1=CC=CC=C1 15923 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 N=C(N)C1=CC=C[NH+]=C1 16743 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 N=C(N)C1=CC=NC=C1 17463 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.6 NC(=S)C1=CC=CC=C1 13565 [0,0,0,0,0,0|1,1,1]=3 32 B9R1.6 NC(=S)C1=CC=CC=C1 18582 [0,0,0,0,0,0|1,1,1]=3 33 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,0,0|1,0,2]=3 34 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,0,0|2,0,2]=4 47 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.6 OB(O)C1=CC=CC=C1 1753 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.6 OB(O)C1=CC=CN=C1 2183 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 OB(O)C1=CC=NC=C1 5145 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 OB(O)C1=CN=CN=C1 5199 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.6 OB(O)C1=NC=CC=C1 4076 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.6 OB(O)C1=NC=NC=C1 20437 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.6 OC(=S)C1=CC=CC=C1 36202 [0,0,0,0,0,0|1,0,1]=2 55 B8R1.2 BrCC1=CC=CC=C1 13143 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 BrCC1=CC=CN=C1 17664 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 BrCC1=NC=NC=C1 23940 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 C#CC1=CC=CC=C1 15340 [1,0,0,0,0,0|0,0,2]=3 59 B8R1.2 C#CC1=CC=CN=C1 16106 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.2 C#CC1=CC=NC=C1 19527 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.2 C=CC1=NC=CC=C1 23910 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.2 CCC1=NC=NC=C1 23618 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CNC1=CC=CN=C1 14983 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 CNC1=CC=NC=C1 12915 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 CNC1=CN=CN=C1 25066 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 COC1=CC=CC=C1 12830 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.2 COC1=CC=CC=C1 17272 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 COC1=CC=CN=C1 15370 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 COC1=CC=NC=C1 2585 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 COC1=CN=CN=C1 25073 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 COC1=NC=CC=C1 13201 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 COC1=NC=CN=C1 8605 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 COC1=NC=NC=C1 21029 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CSC1=CC=CC=C1 10578 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.2 CSC1=NC=CC=C1 35938 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.2 CSC1=NC=CN=C1 8604 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 ClCC1=CC=CN=C1 9217 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 ClCC1=CC=NC=C1 15905 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 ClCC1=NC=CC=C1 16732 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 ClCC1=NC=CC=C1 36036 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 ClCC1=NC=CC=N1 21458 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 ClCC1=NC=CC=N1 24800 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 ClCC1=NC=CN=C1 32160 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 N#CC1=CC=CN=C1 11233 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 N#CC1=CC=NC=C1 11155 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 N#CC1=NC=CC=C1 6007 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 N#Cc1ccccc1 25507 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.2 NCC1=CC=CC=C1 25530 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.2 NCC1=CC=CN=C1 11140 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 NCC1=CC=NC=C1 12407 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 NCC1=NC=CC=C1 11142 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 NCC1=NC=CC=N1 26329 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 NCC1=NC=CN=C1 17822 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 NNC1=CC=CC=C1 22925 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.2 NNC1=CC=NC=C1 16313 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 NNC1=NC=CC=C1 22630 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 O=CC1=CC=CN=C1 1124 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 O=CC1=CC=NC=C1 11745 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 O=CC1=NC=CC=C1 11741 [1,0,0,0,0,0|1,0,2]=4 100 B8R1.2 OCC1=CC=CN=C1 11736 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.2 OCC1=CC=NC=C1 11738 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.2 OCC1=CN=CN=C1 9758 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.2 OCC1=NC=CC=C1 9301 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.2 OCC1=NC=CC=N1 9757 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 OCC1=NC=CN=C1 32128 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 OCC1=NC=NC=C1 9756 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 SCC1=CC=CC=C1 6835 [1,0,0,0,0,0|0,1,0]=2 108 B8R1.2 SCC1=CC=CN=C1 25049 [1,0,0,0,0,0|1,1,0]=3 109 B8R1.2 SCC1=CC=NC=C1 25053 [1,0,0,0,0,0|1,1,0]=3 110 B8R1.2 SCC1=NC=CC=C1 25013 [1,0,0,0,0,0|1,1,0]=3 111 B8R1.2 SCC1=NC=CN=C1 32116 [1,0,0,0,0,0|2,1,0]=4 112 B10R1.13 C=C(C)C1=CC=C(O)C=C1 27834 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,1,0,0,0,0|0,0,2]=3 114 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,1,0,0,0,0|0,0,2]=3 115 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,1,0,0,0,0|0,0,2]=3 116 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,1,0,0,0,0|0,0,2]=3 117 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,1,0,0,0,0|0,0,2]=3 118 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,1,0,0,0,0|0,0,2]=3 119 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,1,0,0,0,0|0,0,2]=3 120 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,1,0,0,0,0|1,0,2]=4 127 B10R1.13 CC(C)C1=CC=C(Br)C=C1 18676 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.13 CC(C)C1=CC=C(I)C=C1 3975 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.13 CC(C)C1=CC=C(N)C=N1 19458 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.13 CC(C)C1=CC=C(S)C=C1 6814 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.13 CC(C)C1=NC=C(Br)C=N1 27971 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 27544 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.13 CC(N)C1=CC=C(F)C=C1 3425 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(O)C1=CC=C(Br)C=C1 12552 [0,1,0,0,0,0|0,0,0]=1 135 B10R1.13 CC1=CC=C(B(O)O)C=C1 1873 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 CC1=CC=C(B(O)O)C=C1 27335 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 CC1=CC=C(B(O)O)C=N1 17081 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 15455 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15433 [0,1,0,0,0,0|1,0,1]=3 140 B10R1.13 CC1=CC=C(C(N)=O)C=C1 27569 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.13 CC1=CC=C(C(O)=S)C=C1 10665 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.13 CC1=CC=C(N(C)C)C=C1 21347 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CC1=CC=C(S(=O)O)C=C1 35986 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 35988 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 15589 [0,1,0,0,0,0|0,0,0]=1 146 B10R1.13 CC1=CN=C(B(O)O)C=C1 6938 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.13 CN(C)C1=CC=C(Br)C=C1 2230 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 CN(C)C1=CC=C(Br)N=C1 33778 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 5271 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.13 CN(C)C1=CC=C(F)C=C1 3365 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.13 CN(C)C1=CC=C(O)C=C1 27800 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 CN(C)C1=NC=C(Br)C=C1 5051 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.13 CN(C)C1=NC=C(N)C=C1 15373 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 CN(C)c1ccc(N)cc1 21651 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 15222 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 15219 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 2454 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.13 C[C@@H](N)c1ccc(Br)cc1 14234 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 14252 [0,1,0,0,0,0|0,0,0]=1 162 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 14249 [0,1,0,0,0,0|0,0,0]=1 163 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 14245 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 15221 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 15218 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.13 C[C@H](N)c1ccc(Br)cc1 5736 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 14253 [0,1,0,0,0,0|0,0,0]=1 168 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 14251 [0,1,0,0,0,0|0,0,0]=1 169 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 14247 [0,1,0,0,0,0|0,0,0]=1 170 B10R1.13 Cc1ccc(C(Cl)Cl)cc1 10212 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 Cc1ccc([C@@H](C)N)cc1 8021 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.13 Cc1ccc([S@@](N)=O)cc1 9914 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.13 Cc1ccc([S@](N)=O)cc1 9913 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.13 FC(F)C1=CC=C(Br)C=C1 23296 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 25824 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.13 N=C(N)C1=CC=C(N)C=C1 13445 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.13 N=C(N)C1=CC=C(O)C=C1 18174 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 3737 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 3619 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.13 NC(=O)C1=CC=C(F)C=C1 3407 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.13 NC(=O)C1=CC=C(N)C=C1 35461 [0,1,0,0,0,0|1,0,2]=4 182 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 10912 [0,1,0,0,0,0|1,1,1]=4 183 B10R1.13 NC(=S)C1=CC=C(N)C=C1 13560 [0,1,0,0,0,0|1,1,1]=4 184 B10R1.13 NC(=S)C1=CC=C(O)C=C1 13555 [0,1,0,0,0,0|1,1,1]=4 185 B10R1.13 NC1=CC=C(B(O)O)C=C1 17155 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 NC1=CC=C(B(O)O)C=C1 1747 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 NC1=CC=C(B(O)O)C=C1 6329 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 NC1=CC=C(B(O)O)C=N1 25619 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.13 NC1=CC=C(C(=O)O)C=C1 13422 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.13 NC1=CC=C(C(F)F)C=C1 23828 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 2098 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 16513 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 14145 [0,1,0,0,0,0|1,0,2]=4 197 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 19744 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 27236 [0,1,0,0,0,0|1,0,2]=4 199 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 3741 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 8985 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.13 O=C(O)C1=CC=C(F)C=C1 8221 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.13 O=C(O)C1=CC=C(I)C=C1 3928 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.13 O=C(O)C1=CC=C(O)C=C1 16819 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.13 O=C(O)C1=CC=C(S)C=C1 6842 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 24616 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 2286 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 4436 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 19727 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 5422 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.13 O=[N+]([O-])c1ccc(Br)cc1 27491 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.13 OB(O)C1=CC=C(Br)C=C1 1763 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 1798 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.13 OB(O)C1=CC=C(F)C=C1 1858 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.13 OB(O)C1=CC=C(I)C=C1 6160 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.13 OB(O)C1=CC=C(O)C=C1 1729 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.13 OB(O)C1=CC=C(S)C=C1 1862 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.13 OB(O)C1=CN=C(Br)C=C1 5082 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.13 OB(O)C1=CN=C(Cl)C=C1 7918 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.13 OB(O)C1=CN=C(F)C=C1 7963 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 13568 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.13 OB(O)C1=NC=C(F)C=C1 14730 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.13 OC1=CC=C(C(F)F)C=C1 19704 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.15 BrCC(Br)C1=CC=CC=C1 13572 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.15 C=CC(=O)C1=CC=CC=C1 19662 [0,1,0,0,0,0|0,0,3]=4 234 B10R1.15 C=CS(=O)C1=CC=CC=C1 15339 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.15 CC(C#N)C1=CC=CC=C1 12511 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.15 CC(CBr)C1=CC=CC=C1 3829 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.15 CC(CN)C1=CC=CC=C1 16143 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,1,0,0,0,0|1,0,2]=4 239 B10R1.15 CCC(C)C1=CC=CC=C1 28439 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.15 CCC(N)C1=CC=CC=C1 21078 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 5668 [0,1,0,0,0,0|1,0,0]=2 242 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,1,0,0,0,0|0,0,2]=3 243 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 18717 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,1,0,0,0,0|1,0,2]=4 245 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,1,0,0,0,0|1,0,2]=4 246 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,1,0,0,0,0|1,0,2]=4 247 B10R1.15 C[C@H](CN)C1=CC=CC=C1 21084 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.15 N#CC(N)c1ccccc1 28208 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.15 NC(CO)C1=NC=CC=C1 18774 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,1,0,0,0,0|0,0,2]=3 251 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,1,0,0,0,0|0,0,2]=3 252 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,1,0,0,0,0|0,0,2]=3 253 B10R1.15 NCC(O)C1=CC=CC=C1 44911 [0,1,0,0,0,0|0,0,0]=1 254 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 13836 [0,1,0,0,0,0|0,0,0]=1 255 B10R1.15 NC[C@H](O)C1=CC=CC=C1 14747 [0,1,0,0,0,0|0,0,0]=1 256 B10R1.15 NNC(=O)c1ccccc1 21535 [0,1,0,0,0,0|1,0,2]=4 257 B10R1.15 N[C@@H](CO)c1ccccc1 6081 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.15 N[C@H](CO)c1ccccc1 6080 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.15 N\C(=N/O)C1=CC=CC=C1 12481 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,1,0,0,0,0|0,0,2]=3 261 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,1,0,0,0,0|1,0,2]=4 262 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,1,0,0,0,0|0,0,2]=3 263 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,1,0,0,0,0|0,0,2]=3 264 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,1,0,0,0,0|0,0,2]=3 265 B10R1.15 OC[C@@H](O)c1ccccc1 7148 [0,1,0,0,0,0|0,0,0]=1 266 B10R1.15 OC[C@H](O)c1ccccc1 7146 [0,1,0,0,0,0|0,0,0]=1 267 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 15578 [0,1,0,0,0,0|0,0,0]=1 268 B10R1.28 CC(C)(C)C1=CC=CC=C1 36004 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.28 CC(C)(N)C1=CC=CC=C1 19654 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.28 CC(C)(O)C1=CC=NC=C1 16172 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.28 CC(C)(O)C1=NC=CC=C1 34335 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.28 CC(C)(S)C1=CC=CC=C1 6849 [0,1,0,0,0,0|0,1,0]=2 273 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 10862 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.28 C[Si](C)(Cl)C1=CC=CC=C1 10814 [0,1,0,0,0,0|1,1,0]=3 275 B10R1.28 ClC(Cl)(Cl)C1=CC=CC=C1 22016 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.28 Cl[Si](Cl)(Cl)C1=CC=CC=C1 26216 [0,1,0,0,0,0|2,1,0]=4 277 B10R1.28 FC(F)(F)C1=CC=CC=C1 18922 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.28 FC(F)(F)C1=CC=CC=C1 5423 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.28 FC(F)(F)C1=CC=CN=C1 8025 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.28 FC(F)(F)C1=CC=NC=C1 8028 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.28 FC(F)(F)C1=NC=CC=C1 31632 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.28 F[B-](F)(F)C1=CC=CC=C1 11425 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 6464 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.28 O=P(O)(O)C1=CC=CC=C1 21303 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.28 O=S(=O)(Cl)C1=CC=CC=C1 10441 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.28 O=S(=O)(F)C1=CC=CC=C1 14507 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 9608 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 21767 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,1,0,0,0,0|0,0,2]=3 290 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,1,0,0,0,0|0,0,2]=3 291 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,1,0,0,0,0|0,0,2]=3 292 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,1,0,0,0,0|0,0,2]=3 293 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [0,1,0,0,0,0|1,0,2]=4 294 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,1,0,0,0,0|0,0,2]=3 295 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,1,0,0,0,0|0,0,2]=3 296 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,1,0,0,0,0|1,0,2]=4 297 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,1,0,0,0,0|1,0,2]=4 298 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,1,0,0,0,0|1,0,2]=4 299 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [0,1,0,0,0,0|1,0,2]=4 300 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,1,0,0,0,0|1,0,2]=4 301 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,1,0,0,0,0|1,0,2]=4 302 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,1,0,0,0,0|1,0,2]=4 303 B10R1.61 CC(C)C1=C(Br)C=CC=C1 16461 [0,1,0,0,0,0|1,0,0]=2 304 B10R1.61 CC(C)C1=C(Cl)C=NC=C1 6618 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.61 CC(C)C1=C(I)C=CC=C1 12584 [0,1,0,0,0,0|1,0,0]=2 306 B10R1.61 CC(C)C1=C(O)C=CN=C1 35264 [0,1,0,0,0,0|2,0,0]=3 307 B10R1.61 CC(C)C1=C(S)C=CC=C1 6880 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.61 CC(C)C1=CC=CN=C1Cl 6145 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.61 CC(C)C1=NC=CC=C1Br 32481 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.61 CC1=C(B(O)O)C=CC=C1 1871 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.61 CC1=C(B(O)O)C=CN=C1 9664 [0,1,0,0,0,0|3,0,0]=4 312 B10R1.61 CC1=C(B(O)O)C=NC=C1 17083 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.61 CC1=C(C(=O)O)C=CN=C1 19851 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.61 CC1=C(C(Cl)Cl)C=CC=C1 10210 [0,1,0,0,0,0|2,0,0]=3 317 B10R1.61 CC1=C(C(O)=S)C=CC=C1 10795 [0,1,0,0,0,0|1,0,1]=3 318 B10R1.61 CC1=CC=CC=C1C(=O)Cl 15451 [0,1,0,0,0,0|1,0,2]=4 319 B10R1.61 CC1=CC=CC=C1C(=O)O 15431 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.61 CC1=CC=CN=C1B(O)O 17385 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.61 CC1=NC=CC=C1B(O)O 17080 [0,1,0,0,0,0|3,0,0]=4 324 B10R1.61 CC1=NC=CN=C1C(C)C 24268 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.61 CN(C)C1=C(Br)C=CC=C1 3759 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 5269 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.61 CN(C)C1=C(F)C=CC=C1 5243 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 24734 [0,1,0,0,0,0|1,0,0]=2 329 B10R1.61 C[C@@H](N)C1=C(O)C=CC=C1 23367 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 5686 [0,1,0,0,0,0|0,0,0]=1 331 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 3980 [0,1,0,0,0,0|0,0,0]=1 332 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 24769 [0,1,0,0,0,0|0,0,0]=1 333 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 24731 [0,1,0,0,0,0|1,0,0]=2 334 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 15728 [0,1,0,0,0,0|1,0,0]=2 335 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 5682 [0,1,0,0,0,0|0,0,0]=1 336 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 5670 [0,1,0,0,0,0|0,0,0]=1 337 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 24768 [0,1,0,0,0,0|0,0,0]=1 338 B10R1.61 IC1=C(N(I)I)C=CC=C1 19658 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 3733 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.61 NC(=O)C1=C(Cl)C=CC=C1 3617 [0,1,0,0,0,0|1,0,2]=4 341 B10R1.61 NC(=O)C1=C(F)C=CC=C1 3405 [0,1,0,0,0,0|1,0,2]=4 342 B10R1.61 NC(=O)C1=C(I)C=CC=C1 3299 [0,1,0,0,0,0|1,0,2]=4 343 B10R1.61 NC(=O)C1=CC=CC=C1N 13631 [0,1,0,0,0,0|1,0,2]=4 344 B10R1.61 NC(=O)C1=CC=CC=C1O 10992 [0,1,0,0,0,0|1,0,2]=4 345 B10R1.61 NC1=C(B(O)O)C=CC=C1 1746 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.61 NC1=C(B(O)O)C=CC=C1 9885 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.61 NC1=C(B(O)O)C=NC=C1 21017 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.61 NC1=C(C(=O)O)C=CN=C1 16665 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.61 NC1=C(C(=O)O)C=CN=C1 2420 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 12510 [0,1,0,0,0,0|1,0,2]=4 354 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 15054 [0,1,0,0,0,0|1,0,2]=4 355 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 3739 [0,1,0,0,0,0|1,0,1]=3 356 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 13576 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 5087 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.61 O=C(O)C1=C(F)C=CC=C1 9650 [0,1,0,0,0,0|1,0,1]=3 361 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.61 O=C(O)C1=C(F)C=NC=C1 3549 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3924 [0,1,0,0,0,0|1,0,1]=3 365 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.61 O=C(O)C1=C(O)C=NC=C1 16741 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,1,0,0,0,0|2,0,1]=4 369 B10R1.61 O=C(O)C1=CC=CC=C1S 6841 [0,1,0,0,0,0|1,0,1]=3 370 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 2270 [0,1,0,0,0,0|1,0,2]=4 378 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 3819 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 2063 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.61 O=[N+]([O-])C1=C(I)C=CC=C1 3952 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.61 O=[N+]([O-])c1ccccc1Cl 18481 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.61 O=[N+]([O-])c1ccccc1F 28476 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.61 OB(O)C1=C(Br)C=CC=C1 13095 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 1797 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 33770 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.61 OB(O)C1=C(Cl)C=NC=C1 26617 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.61 OB(O)C1=C(F)C=CC=C1 1856 [0,1,0,0,0,0|2,0,0]=3 388 B10R1.61 OB(O)C1=C(F)C=NC=C1 23547 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.61 OB(O)C1=C(I)C=CC=C1 34200 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.61 OB(O)C1=C(O)C=CC=C1 9522 [0,1,0,0,0,0|2,0,0]=3 391 B10R1.61 OB(O)C1=CC=CN=C1Br 5080 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.61 OB(O)C1=CC=CN=C1Cl 5078 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.61 OB(O)C1=CC=CN=C1F 5044 [0,1,0,0,0,0|3,0,0]=4 394 B10R1.61 OB(O)C1=CC=CN=C1O 33718 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.61 OB(O)c1ncccc1F 24101 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,1,0,0,0,0|0,0,2]=3 397 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,1,0,0,0,0|1,0,2]=4 398 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,1,0,0,0,0|0,0,2]=3 399 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,1,0,0,0,0|1,0,2]=4 400 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,1,0,0,0,0|0,0,2]=3 401 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,1,0,0,0,0|0,0,2]=3 402 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,1,0,0,0,0|1,0,2]=4 403 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,1,0,0,0,0|0,0,2]=3 404 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,1,0,0,0,0|1,0,2]=4 405 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,1,0,0,0,0|0,0,2]=3 406 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,1,0,0,0,0|0,0,2]=3 407 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,1,0,0,0,0|0,0,2]=3 408 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,1,0,0,0,0|1,0,2]=4 409 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,1,0,0,0,0|1,0,2]=4 410 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,1,0,0,0,0|1,0,2]=4 411 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,1,0,0,0,0|1,0,2]=4 412 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 22619 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.113 CC(C)C1=CC=CC(Br)=N1 28919 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 10559 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 33540 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.113 CC(C)c1cccc(Br)c1 27489 [0,1,0,0,0,0|1,0,0]=2 417 B10R1.113 CC(N)C1=CC(F)=CC=C1 24339 [0,1,0,0,0,0|1,0,0]=2 418 B10R1.113 CC(O)C1=CC(F)=CC=C1 28823 [0,1,0,0,0,0|0,0,0]=1 419 B10R1.113 CC1=CC(B(O)O)=CC=C1 1872 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.113 CC1=CC(C(=O)O)=CC=C1 15435 [0,1,0,0,0,0|1,0,1]=3 421 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 15456 [0,1,0,0,0,0|1,0,2]=4 423 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.113 CC1=CC=CC(C(O)=S)=C1 28685 [0,1,0,0,0,0|1,0,1]=3 426 B10R1.113 CC1=CN=CC(B(O)O)=C1 17082 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.113 CC1=NC=CC(B(O)O)=C1 10541 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.113 CC1=NC=CC(B(O)O)=C1 3979 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.113 CC1=NC=CC(C(=O)O)=C1 13978 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.113 CN(C)C1=CC(Br)=CC=C1 3760 [0,1,0,0,0,0|2,0,0]=3 431 B10R1.113 CN(C)C1=CC(Br)=CN=C1 22076 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.113 CN(C)C1=CC(Br)=NC=C1 27965 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.113 CN(C)C1=CC(Cl)=CC=C1 3637 [0,1,0,0,0,0|2,0,0]=3 434 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 32418 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.113 CN(C)C1=CC(F)=CC=C1 5244 [0,1,0,0,0,0|2,0,0]=3 436 B10R1.113 CN(C)C1=CC(N)=CC=C1 14991 [0,1,0,0,0,0|2,0,0]=3 437 B10R1.113 CN(C)C1=CC=CC(O)=C1 11072 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.113 CN(C)C1=NC(Br)=CC=C1 20311 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.113 CN(C)C1=NC=CC(Br)=C1 27960 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.113 C[C@@H](N)C1=CC(Cl)=CC=C1 24741 [0,1,0,0,0,0|1,0,0]=2 441 B10R1.113 C[C@@H](N)C1=CC(F)=CC=C1 24730 [0,1,0,0,0,0|1,0,0]=2 442 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 15565 [0,1,0,0,0,0|0,0,0]=1 443 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 15577 [0,1,0,0,0,0|0,0,0]=1 444 B10R1.113 C[C@@H](O)C1=CC(F)=CC=C1 24771 [0,1,0,0,0,0|0,0,0]=1 445 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 14235 [0,1,0,0,0,0|1,0,0]=2 446 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 24746 [0,1,0,0,0,0|1,0,0]=2 447 B10R1.113 C[C@H](N)C1=CC(Cl)=CC=C1 24735 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.113 C[C@H](N)C1=CC(F)=CC=C1 25216 [0,1,0,0,0,0|1,0,0]=2 449 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 24772 [0,1,0,0,0,0|0,0,0]=1 450 B10R1.113 C[C@H](O)C1=CC(Cl)=CC=C1 15576 [0,1,0,0,0,0|0,0,0]=1 451 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 24770 [0,1,0,0,0,0|0,0,0]=1 452 B10R1.113 FC(F)C1=CC(Cl)=NC=C1 26528 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.113 FC1=CC(C(F)F)=CC=C1 28464 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25825 [0,1,0,0,0,0|2,0,1]=4 455 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 25933 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 3734 [0,1,0,0,0,0|1,0,2]=4 457 B10R1.113 NC(=O)C1=CC(Cl)=CC=C1 3618 [0,1,0,0,0,0|1,0,2]=4 458 B10R1.113 NC(=O)C1=CC(I)=CC=C1 3301 [0,1,0,0,0,0|1,0,2]=4 459 B10R1.113 NC(=O)C1=CC(N)=CC=C1 28767 [0,1,0,0,0,0|1,0,2]=4 460 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 20134 [0,1,0,0,0,0|1,1,1]=4 461 B10R1.113 NC(=S)C1=CC(F)=CC=C1 35675 [0,1,0,0,0,0|1,1,1]=4 462 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 24745 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.113 NC1=CC=CC(B(O)O)=C1 1751 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.113 NC1=CC=CC(B(O)O)=C1 20396 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.113 NC1=CC=CC(B(O)O)=C1 23780 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.113 NC1=CC=CC(B(O)O)=C1 4016 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.113 NC1=CN=CC(B(O)O)=C1 24820 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.113 NC1=NC=CC(C(=O)O)=C1 2426 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 13574 [0,1,0,0,0,0|1,0,2]=4 473 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 19742 [0,1,0,0,0,0|1,0,2]=4 474 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 3740 [0,1,0,0,0,0|1,0,1]=3 475 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 9211 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 8991 [0,1,0,0,0,0|1,0,1]=3 477 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 2598 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.113 O=C(O)C1=CC(F)=CC=C1 3480 [0,1,0,0,0,0|1,0,1]=3 479 B10R1.113 O=C(O)C1=CC(F)=NC=C1 3548 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.113 O=C(O)C1=CC(I)=CC=C1 3925 [0,1,0,0,0,0|1,0,1]=3 481 B10R1.113 O=C(O)C1=CC(I)=NC=C1 16692 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.113 O=C(O)C1=CC(O)=CC=C1 9161 [0,1,0,0,0,0|1,0,1]=3 483 B10R1.113 O=C(O)C1=CC(O)=NC=C1 16780 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.113 O=C(O)C1=CC(S)=CC=C1 5566 [0,1,0,0,0,0|1,0,1]=3 485 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [0,1,0,0,0,0|2,0,1]=4 488 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [0,1,0,0,0,0|2,0,1]=4 490 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [0,1,0,0,0,0|2,0,1]=4 491 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,1,0,0,0,0|2,0,1]=4 493 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,1,0,0,0,0|2,0,1]=4 494 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,1,0,0,0,0|2,0,1]=4 495 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 3820 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 10642 [0,1,0,0,0,0|2,0,1]=4 501 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 3954 [0,1,0,0,0,0|2,0,1]=4 502 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 17999 [0,1,0,0,0,0|2,0,1]=4 503 B10R1.113 OB(O)C1=CC(Br)=CC=C1 1758 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 1785 [0,1,0,0,0,0|2,0,0]=3 505 B10R1.113 OB(O)C1=CC(Cl)=CN=C1 17397 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 13566 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.113 OB(O)C1=CC(Cl)=NC=C1 17511 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.113 OB(O)C1=CC(F)=CC=C1 1857 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.113 OB(O)C1=CC(F)=CN=C1 24822 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.113 OB(O)C1=CC(F)=NC=C1 2192 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.113 OB(O)C1=CC(I)=CC=C1 6224 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.113 OB(O)C1=CC(O)=CC=C1 1728 [0,1,0,0,0,0|2,0,0]=3 513 B10R1.113 OB(O)C1=CC(S)=CC=C1 1861 [0,1,0,0,0,0|2,0,0]=3 514 B10R1.113 OB(O)C1=CC(S)=CC=C1 23980 [0,1,0,0,0,0|2,0,0]=3 515 B10R1.113 OB(O)C1=CN=CC(Br)=C1 5305 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.113 OB(O)C1=NC(Cl)=CC=C1 19601 [0,1,0,0,0,0|3,0,0]=4 517 B10R1.113 OB(O)C1=NC(F)=CC=C1 18747 [0,1,0,0,0,0|3,0,0]=4 518 B10R2.6 C1=CC=C(C2CC2)C=C1 19698 [0,0,0,1,0,0|1,0,0]=2 519 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 5831 [0,0,0,1,0,0|0,0,0]=1 520 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 5835 [0,0,0,1,0,0|0,0,0]=1 521 B10R2.320 BrC1CC2=CC=CC=C21 36330 [0,0,0,1,0,0|1,0,0]=2 522 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,0,0,0,1,0|1,0,2]=4 523 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,0,0,0,1,0|1,0,2]=4 524 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,0,0,0,1,0|1,0,2]=4 525 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,0,0,0,1,0|1,0,2]=4 526 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,0,0,0,1,0|1,0,2]=4 527 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,1,0|1,0,1]=3 528 B8R1.7 CC(C)C1=NC=CN1 15977 [0,0,0,0,1,0|3,0,0]=4 529 B8R1.7 CC(C)C1=NNC=C1 11026 [0,0,0,0,1,0|3,0,0]=4 530 B8R1.7 CC(O)[C-]1C=CC=C1 35557 [0,0,0,0,1,0|0,0,1]=2 531 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,0,0,0,1,0|2,0,1]=4 532 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,0,0,0,1,0|2,0,1]=4 533 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,0,0,0,1,0|2,0,1]=4 534 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,0,0,0,1,0|2,0,1]=4 535 B8R1.7 O=C(O)C1=COC=C1 6945 [0,0,0,0,1,0|2,0,1]=4 536 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,0,0,0,1,0|2,0,1]=4 537 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,0,0,0,1,0|1,0,2]=4 538 B8R1.7 OB(O)C1=CC=CO1 2182 [0,0,0,0,1,0|3,0,0]=4 539 B8R1.7 OB(O)C1=CC=CS1 1883 [0,0,0,0,1,0|3,0,0]=4 540 B8R1.7 OB(O)C1=CC=C[Se]1 17394 [0,0,0,0,1,0|3,0,0]=4 541 B8R1.7 OB(O)C1=CNC=C1 23546 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.7 OB(O)C1=COC=C1 6439 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.7 OB(O)C1=CSC=C1 1884 [0,0,0,0,1,0|3,0,0]=4 544 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,1|1,0,2]=4 545 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,1|1,0,2]=4 546 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,1|0,0,2]=3 547 B10R1.18 CC(C)OC1=CC=CC=C1 13188 [0,0,0,0,0,1|1,0,0]=2 548 B10R1.18 CC(C)OC1=CC=NC=C1 6684 [0,0,0,0,0,1|2,0,0]=3 549 B10R1.18 CC(O)CC1=CC=CC=C1 36130 [0,0,0,0,0,1|0,0,0]=1 550 B10R1.18 NC(=S)NC1=CC=CC=C1 35672 [0,0,0,0,0,1|1,1,1]=4 551 B10R1.18 O=C(Cl)CC1=CC=CC=C1 35236 [0,0,0,0,0,1|1,0,2]=4 552 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,1|2,0,1]=4 553 B10R1.18 O=C(O)CC1=CC=NC=C1 14000 [0,0,0,0,0,1|2,0,1]=4 554 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,1|2,0,1]=4 555 B10R1.18 O=C([O-])CC1=CC=CC=C1 20019 [0,0,0,0,0,1|1,0,2]=4 556 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 16807 [0,0,0,0,0,1|2,0,1]=4 557 B10R1.18 OB(O)CC1=CC=CC=C1 5320 [0,0,0,0,0,1|2,0,0]=3 558 B10R1.18 OC(=S)CC1=CC=CC=C1 10786 [0,0,0,0,0,1|1,0,1]=3 559 B7R1.3 BrC1=CC=CN=C1 2571 [2,0,0,0,0,0|2,0,0]=4 560 B7R1.3 BrC1=CC=NC=C1 15950 [2,0,0,0,0,0|2,0,0]=4 561 B7R1.3 BrC1=CC=NC=C1 2589 [2,0,0,0,0,0|2,0,0]=4 562 B7R1.3 BrC1=NC=CC=C1 2570 [2,0,0,0,0,0|2,0,0]=4 563 B7R1.3 CC1=CC=CN=N1 17696 [2,0,0,0,0,0|2,0,0]=4 564 B7R1.3 CC1=CN=CN=C1 7207 [2,0,0,0,0,0|2,0,0]=4 565 B7R1.3 CC1=NC=CC=C1 15899 [2,0,0,0,0,0|1,0,0]=3 566 B7R1.3 CC1=NC=CC=N1 21974 [2,0,0,0,0,0|2,0,0]=4 567 B7R1.3 CC1=NC=CN=C1 8601 [2,0,0,0,0,0|2,0,0]=4 568 B7R1.3 CC1=NC=NC=C1 20803 [2,0,0,0,0,0|2,0,0]=4 569 B7R1.3 Cc1ccccn1 18185 [2,0,0,0,0,0|1,0,0]=3 570 B7R1.3 ClC1=CC=CN=C1 2576 [2,0,0,0,0,0|2,0,0]=4 571 B7R1.3 ClC1=CC=NC=C1 1195 [2,0,0,0,0,0|2,0,0]=4 572 B7R1.3 ClC1=CC=NC=C1 23503 [2,0,0,0,0,0|2,0,0]=4 573 B7R1.3 ClC1=NC=CC=C1 13200 [2,0,0,0,0,0|2,0,0]=4 574 B7R1.3 FC1=CC=CC=C1 29401 [2,0,0,0,0,0|1,0,0]=3 575 B7R1.3 FC1=CC=CN=C1 1095 [2,0,0,0,0,0|2,0,0]=4 576 B7R1.3 FC1=CC=NC=C1 14322 [2,0,0,0,0,0|2,0,0]=4 577 B7R1.3 FC1=CC=NC=C1 2616 [2,0,0,0,0,0|2,0,0]=4 578 B7R1.3 FC1=NC=CC=C1 1094 [2,0,0,0,0,0|2,0,0]=4 579 B7R1.3 IC1=CC=CC=C1 2143 [2,0,0,0,0,0|1,0,0]=3 580 B7R1.3 IC1=CC=CC=C1 3921 [2,0,0,0,0,0|1,0,0]=3 581 B7R1.3 IC1=CC=CN=C1 6634 [2,0,0,0,0,0|2,0,0]=4 582 B7R1.3 IC1=CC=NC=C1 2584 [2,0,0,0,0,0|2,0,0]=4 583 B7R1.3 IC1=NC=CC=C1 4074 [2,0,0,0,0,0|2,0,0]=4 584 B7R1.3 NC1=CC=CN=C1 2569 [2,0,0,0,0,0|2,0,0]=4 585 B7R1.3 NC1=CC=NC=C1 1281 [2,0,0,0,0,0|2,0,0]=4 586 B7R1.3 NC1=NC=CC=C1 10484 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.3 OC1=CC=CN=C1 2568 [2,0,0,0,0,0|1,0,0]=3 588 B7R1.3 OC1=CC=NC=C1 1116 [2,0,0,0,0,0|1,0,0]=3 589 B7R1.3 OC1=CN=CN=C1 20799 [2,0,0,0,0,0|2,0,0]=4 590 B7R1.3 OC1=C[NH+]=CN=C1 23934 [2,0,0,0,0,0|2,0,0]=4 591 B7R1.3 OC1=NC=CC=C1 2567 [2,0,0,0,0,0|1,0,0]=3 592 B7R1.3 OC1=NC=CC=N1 20310 [2,0,0,0,0,0|2,0,0]=4 593 B7R1.3 OC1=NC=CC=N1 21046 [2,0,0,0,0,0|2,0,0]=4 594 B7R1.3 OC1=NC=CN=C1 8869 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.3 OC1=NC=NC=C1 11012 [2,0,0,0,0,0|2,0,0]=4 596 B7R1.3 OC1=NC=NC=C1 20805 [2,0,0,0,0,0|2,0,0]=4 597 B7R1.3 PC1=CC=CC=C1 25514 [2,0,0,0,0,0|1,0,0]=3 598 B7R1.3 SC1=CC=CC=C1 5421 [2,0,0,0,0,0|0,1,0]=3 599 B7R1.3 SC1=CC=NC=C1 9746 [2,0,0,0,0,0|1,1,0]=4 600 B7R1.3 SC1=NC=CC=C1 10835 [2,0,0,0,0,0|1,1,0]=4 601 B7R1.3 SC1=NC=CC=C1 16329 [2,0,0,0,0,0|1,1,0]=4 602 B7R1.3 [Li]C1=CC=CC=C1 26659 [2,0,0,0,0,0|1,0,0]=3 603 B7R1.3 [O-][N+]1=CC=CC=C1 2586 [2,0,0,0,0,0|1,0,1]=4 604 B7R1.3 [S-]C1=CC=CC=C1 35336 [2,0,0,0,0,0|0,1,0]=3 605 B7R1.3 [SiH3]C1=CC=CC=C1 25896 [2,0,0,0,0,0|0,1,0]=3 606 B9R1.1 BrCC1=CC=C(Br)C=C1 7460 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.1 BrCC1=CC=C(I)C=C1 3557 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.1 C#CC1=CC=C(C)C=C1 10922 [1,1,0,0,0,0|0,0,2]=4 609 B9R1.1 C#CC1=CC=C(F)C=C1 16719 [1,1,0,0,0,0|0,0,2]=4 610 B9R1.1 C#CC1=CC=C(I)C=C1 34237 [1,1,0,0,0,0|0,0,2]=4 611 B9R1.1 C#CC1=CC=C(N)C=C1 26130 [1,1,0,0,0,0|0,0,2]=4 612 B9R1.1 C=CC1=CC=C(Cl)C=C1 12659 [1,1,0,0,0,0|0,0,2]=4 613 B9R1.1 C=CC1=CC=C(N)C=C1 12625 [1,1,0,0,0,0|0,0,2]=4 614 B9R1.1 CC1=CC=C(C#N)C=C1 8168 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.1 CC1=CC=C(C=O)C=C1 15497 [1,1,0,0,0,0|0,0,2]=4 616 B9R1.1 CC1=CC=C(CN)C=C1 10199 [1,1,0,0,0,0|1,0,0]=3 617 B9R1.1 CC1=CC=C(CO)C=N1 27403 [1,1,0,0,0,0|1,0,0]=3 618 B9R1.1 CC1=CC=C(NN)C=C1 4500 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.1 CCC1=CC=C(Br)C=C1 3772 [1,1,0,0,0,0|0,0,0]=2 620 B9R1.1 CCC1=CC=C(C)C=C1 21843 [1,1,0,0,0,0|0,0,0]=2 621 B9R1.1 CCC1=CC=C(I)C=C1 3877 [1,1,0,0,0,0|0,0,0]=2 622 B9R1.1 CCC1=CC=C(N)C=C1 26342 [1,1,0,0,0,0|0,0,0]=2 623 B9R1.1 CCC1=CC=C(O)C=C1 3874 [1,1,0,0,0,0|0,0,0]=2 624 B9R1.1 CCC1=CC=C(S)C=C1 6813 [1,1,0,0,0,0|0,0,0]=2 625 B9R1.1 CCC1=CN=C(Br)C=N1 34496 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.1 CCC1=CN=C(C)C=C1 10482 [1,1,0,0,0,0|1,0,0]=3 627 B9R1.1 CCC1=CN=C(C)C=C1 18256 [1,1,0,0,0,0|1,0,0]=3 628 B9R1.1 CCC1=CN=C(Cl)N=C1 7032 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.1 CCC1=NC=C(Br)C=C1 16886 [1,1,0,0,0,0|1,0,0]=3 630 B9R1.1 CCC1=NC=C(Br)C=N1 27970 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.1 CCC1=NC=C(N)C=C1 25855 [1,1,0,0,0,0|1,0,0]=3 632 B9R1.1 CCc1ccc(F)cc1 22752 [1,1,0,0,0,0|0,0,0]=2 633 B9R1.1 CNC1=CC=C(Cl)C=C1 23344 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.1 CNC1=CC=C(I)C=C1 28328 [1,1,0,0,0,0|1,0,0]=3 635 B9R1.1 CNC1=NC=C(Br)C=C1 22084 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.1 COC1=CC=C(Br)C=C1 3726 [1,1,0,0,0,0|1,0,0]=3 637 B9R1.1 COC1=CC=C(C)N=C1 6640 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.1 COC1=CC=C(Cl)C=C1 3616 [1,1,0,0,0,0|1,0,0]=3 639 B9R1.1 COC1=CC=C(F)C=C1 3475 [1,1,0,0,0,0|1,0,0]=3 640 B9R1.1 COC1=CC=C(I)C=C1 3911 [1,1,0,0,0,0|1,0,0]=3 641 B9R1.1 COC1=CC=C(N)C=C1 21392 [1,1,0,0,0,0|1,0,0]=3 642 B9R1.1 COC1=CC=C(N)C=C1 36098 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.1 COC1=CC=C(O)C=C1 14584 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.1 COC1=CC=C(O)C=C1 2276 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.1 COC1=CC=C(S)C=C1 6822 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.1 COC1=CC=[N+]([O-])C=C1 2587 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.1 COC1=CN=C(Br)C=C1 15210 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.1 COC1=CN=C(Cl)C=C1 6222 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.1 COC1=CN=C(F)C=C1 33665 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.1 COC1=CN=C(N)C=C1 23280 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.1 COC1=NC=C(Br)C=C1 2408 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.1 COC1=NC=C(C)C=C1 6609 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.1 COC1=NC=C(Cl)C=C1 6602 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.1 COC1=NC=C(F)C=C1 11248 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.1 COC1=NC=C(I)C=C1 6606 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.1 COC1=NC=C(N)C=C1 1270 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.1 COC1=NC=C(O)C=C1 16171 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.1 CSC1=CC=C(Br)C=C1 10650 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.1 CSC1=CC=C(C)C=C1 10672 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.1 CSC1=CC=C(Cl)C=C1 10645 [1,1,0,0,0,0|1,0,0]=3 661 B9R1.1 CSC1=CC=C(F)C=C1 10641 [1,1,0,0,0,0|1,0,0]=3 662 B9R1.1 CSC1=CC=C(I)C=C1 10670 [1,1,0,0,0,0|1,0,0]=3 663 B9R1.1 CSC1=CC=C(N)C=C1 10636 [1,1,0,0,0,0|1,0,0]=3 664 B9R1.1 CSC1=CC=C(O)C=C1 15277 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.1 CSC1=CC=C(S)C=C1 6825 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.1 ClC1=CC=C(CBr)C=C1 36109 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.1 ClC1=CC=C([Mg]Br)C=C1 24069 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.1 ClCC1=CC=C(Br)C=C1 2478 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.1 ClCC1=CC=C(Cl)C=C1 5797 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.1 ClCC1=CN=C(Cl)C=C1 9210 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.1 ClCC1=NC=C(Cl)C=C1 24106 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.1 FC1=CC=C(CBr)C=C1 7354 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.1 FC1=CC=C(CCl)C=C1 8864 [1,1,0,0,0,0|1,0,0]=3 674 B9R1.1 FC1=CC=C(CS)C=C1 6855 [1,1,0,0,0,0|0,1,0]=3 675 B9R1.1 N#CC1=CC=C(Br)C=C1 3745 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.1 N#CC1=CC=C(Cl)C=C1 20405 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.1 N#CC1=CC=C(F)C=C1 1585 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.1 N#CC1=CC=C(I)C=C1 3936 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.1 N#CC1=CC=C(N)C=C1 15683 [1,1,0,0,0,0|1,0,1]=4 680 B9R1.1 NC1=CC=C(C=O)C=C1 7795 [1,1,0,0,0,0|0,0,2]=4 681 B9R1.1 NC1=CC=C(CBr)C=C1 26393 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.1 NC1=CC=C(CO)C=C1 7480 [1,1,0,0,0,0|0,0,0]=2 683 B9R1.1 NC1=CC=C(CO)C=N1 18913 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.1 NCC1=CC=C(Br)C=C1 23806 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.1 NCC1=CC=C(Br)C=C1 3751 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.1 NCC1=CC=C(Cl)C=C1 9028 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.1 NCC1=CC=C(Cl)N=C1 24215 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.1 NCC1=CC=C(F)C=C1 3408 [1,1,0,0,0,0|1,0,0]=3 689 B9R1.1 NCC1=CC=C(F)C=C1 4420 [1,1,0,0,0,0|1,0,0]=3 690 B9R1.1 NCC1=CC=C(I)C=C1 3304 [1,1,0,0,0,0|1,0,0]=3 691 B9R1.1 NCC1=CC=C(N)C=C1 5803 [1,1,0,0,0,0|1,0,0]=3 692 B9R1.1 NCC1=CC=C(O)C=C1 26036 [1,1,0,0,0,0|1,0,0]=3 693 B9R1.1 NCC1=CN=C(Cl)C=C1 1255 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.1 NCC1=CN=C(Cl)C=C1 15212 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.1 NCC1=CNC(=O)C=C1 19427 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.1 NCC1=NC=C(Br)C=C1 29009 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.1 NNC1=CC=C(Br)C=C1 21916 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.1 NNC1=CC=C(Br)C=C1 6409 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.1 NNC1=CC=C(Cl)C=C1 23899 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.1 NNC1=CC=C(Cl)C=C1 4483 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.1 NNC1=CC=C(F)C=C1 15913 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.1 NNC1=CC=C(F)C=C1 3330 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.1 NNC1=CC=C(I)C=C1 15797 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.1 O=CC1=CC=C(Br)C=C1 8053 [1,1,0,0,0,0|0,0,2]=4 705 B9R1.1 O=CC1=CC=C(Cl)C=C1 8078 [1,1,0,0,0,0|0,0,2]=4 706 B9R1.1 O=CC1=CC=C(F)C=C1 3478 [1,1,0,0,0,0|0,0,2]=4 707 B9R1.1 O=CC1=CC=C(I)C=C1 5349 [1,1,0,0,0,0|0,0,2]=4 708 B9R1.1 O=CC1=CC=C(O)C=C1 10188 [1,1,0,0,0,0|0,0,2]=4 709 B9R1.1 OCC1=CC=C(Br)C=C1 3748 [1,1,0,0,0,0|0,0,0]=2 710 B9R1.1 OCC1=CC=C(Cl)C=C1 3627 [1,1,0,0,0,0|0,0,0]=2 711 B9R1.1 OCC1=CC=C(F)C=C1 3487 [1,1,0,0,0,0|0,0,0]=2 712 B9R1.1 OCC1=CC=C(F)N=C1 17062 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.1 OCC1=CC=C(I)C=C1 4081 [1,1,0,0,0,0|0,0,0]=2 714 B9R1.1 OCC1=CC=C(O)C=C1 29320 [1,1,0,0,0,0|0,0,0]=2 715 B9R1.1 OCC1=CC=C(S)C=C1 6879 [1,1,0,0,0,0|0,0,0]=2 716 B9R1.1 OCC1=CN=C(Cl)C=C1 12920 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.1 OCC1=NC=C(Br)C=C1 12387 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.1 OCC1=NC=C(Br)C=C1 14780 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.1 OCC1=NC=C(Br)C=C1 7710 [1,1,0,0,0,0|1,0,0]=3 720 B9R1.1 OCC1=NC=C(Cl)N=C1 23492 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.1 SCC1=CC=C(Br)C=C1 6868 [1,1,0,0,0,0|0,1,0]=3 722 B9R1.1 SCC1=CC=C(Cl)C=C1 6838 [1,1,0,0,0,0|0,1,0]=3 723 B9R1.2 BrCC1=CC(Br)=CC=C1 3029 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.2 BrCC1=CC(I)=CC=C1 28805 [1,1,0,0,0,0|1,0,0]=3 725 B9R1.2 C#CC1=CC(F)=CC=C1 12891 [1,1,0,0,0,0|0,0,2]=4 726 B9R1.2 C#CC1=CC(N)=CC=C1 30297 [1,1,0,0,0,0|0,0,2]=4 727 B9R1.2 C#CC1=CC(N)=CC=C1 4052 [1,1,0,0,0,0|0,0,2]=4 728 B9R1.2 C#CC1=CC=CC(Br)=C1 19784 [1,1,0,0,0,0|0,0,2]=4 729 B9R1.2 C#CC1=CC=CC(Cl)=C1 14083 [1,1,0,0,0,0|0,0,2]=4 730 B9R1.2 C=CC1=CC(Br)=CC=C1 23859 [1,1,0,0,0,0|0,0,2]=4 731 B9R1.2 CC1=CC(C=O)=CC=C1 15513 [1,1,0,0,0,0|0,0,2]=4 732 B9R1.2 CC1=CC=CC(CBr)=N1 22577 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.2 CC1=CC=CC(CCl)=N1 22531 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.2 CC1=CC=CC(CCl)=N1 22536 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 CC1=CC=CC(CF)=C1 28809 [1,1,0,0,0,0|1,0,0]=3 736 B9R1.2 CC1=CC=CC(CN)=C1 10198 [1,1,0,0,0,0|1,0,0]=3 737 B9R1.2 CC1=CC=CC(CN)=N1 19465 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 CC1=CC=CC(CO)=N1 20959 [1,1,0,0,0,0|1,0,0]=3 739 B9R1.2 CC1=CC=CC(NN)=C1 6397 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.2 CC1=CN=CC(CO)=C1 22640 [1,1,0,0,0,0|1,0,0]=3 741 B9R1.2 CC1=NC=CC(CN)=C1 34737 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.2 CCC1=CC(Cl)=NC=N1 22620 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.2 CCC1=CC(N)=NC=C1 7108 [1,1,0,0,0,0|1,0,0]=3 744 B9R1.2 CCC1=CC(O)=NC=N1 23619 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 CCC1=CC=CC(Br)=C1 3771 [1,1,0,0,0,0|0,0,0]=2 746 B9R1.2 CCC1=CC=CC(N)=C1 13534 [1,1,0,0,0,0|0,0,0]=2 747 B9R1.2 CCC1=CC=CC(O)=C1 10772 [1,1,0,0,0,0|0,0,0]=2 748 B9R1.2 CCC1=NC=CC(Br)=C1 22128 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.2 CNC1=CC(Br)=CN=C1 34590 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.2 CNC1=CC(Br)=NC=C1 33713 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.2 CNC1=CC(Cl)=CC=C1 9202 [1,1,0,0,0,0|1,0,0]=3 752 B9R1.2 CNC1=CC(F)=CC=C1 24835 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.2 CNC1=CC=CC(O)=C1 27611 [1,1,0,0,0,0|1,0,0]=3 754 B9R1.2 CNC1=NC=CC(Br)=C1 32483 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.2 COC1=CC(Br)=CC=C1 13575 [1,1,0,0,0,0|1,0,0]=3 756 B9R1.2 COC1=CC(Br)=NC=C1 5957 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.2 COC1=CC(Cl)=CC=C1 3615 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.2 COC1=CC(Cl)=NC=C1 6204 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.2 COC1=CC(F)=CC=C1 3474 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.2 COC1=CC(F)=NC=C1 34821 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.2 COC1=CC(I)=CC=C1 3904 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.2 COC1=CC(N)=NC=C1 16566 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.2 COC1=CC(N)=NC=C1 5700 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.2 COC1=CC(O)=CC=C1 13577 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.2 COC1=CC=CC(Br)=N1 9206 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.2 COC1=CC=CC(Cl)=N1 13194 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.2 COC1=CC=CC(I)=N1 9288 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.2 COC1=CC=CC(N)=C1 8374 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.2 COC1=CC=CC(N)=N1 12919 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.2 COC1=CC=CC(S)=C1 6817 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.2 COC1=CN=CC(Br)=C1 5085 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.2 COC1=CN=CC(I)=C1 16704 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.2 COC1=CN=CC(N)=C1 22353 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.2 COC1=CN=CC(O)=C1 27157 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.2 COC1=NC=CC(Br)=C1 6657 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.2 COC1=NC=CC(C)=C1 6598 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.2 COC1=NC=CC(Cl)=C1 15650 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.2 COC1=NC=CC(Cl)=C1 6663 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.2 COC1=NC=CC(F)=C1 6596 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.2 COC1=NC=CC(I)=C1 17128 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.2 COC1=NC=CC(N)=C1 32235 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 COC1=NC=CC(N)=C1 6595 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.2 COC1=NC=CC(O)=C1 35149 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.2 CSC1=CC(Br)=CC=C1 10649 [1,1,0,0,0,0|1,0,0]=3 785 B9R1.2 CSC1=CC(C)=CC=C1 10793 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.2 CSC1=CC(Cl)=CC=C1 10644 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.2 CSC1=CC(F)=CC=C1 10640 [1,1,0,0,0,0|1,0,0]=3 788 B9R1.2 CSC1=CC(I)=CC=C1 10669 [1,1,0,0,0,0|1,0,0]=3 789 B9R1.2 CSC1=CC(N)=CC=C1 10635 [1,1,0,0,0,0|1,0,0]=3 790 B9R1.2 CSC1=CC=CC(Br)=N1 27610 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.2 ClC1=CC=CC(CBr)=C1 10765 [1,1,0,0,0,0|1,0,0]=3 792 B9R1.2 ClCC1=CC(Br)=CC=C1 23319 [1,1,0,0,0,0|1,0,0]=3 793 B9R1.2 ClCC1=CC(Cl)=CC=C1 7520 [1,1,0,0,0,0|1,0,0]=3 794 B9R1.2 ClCC1=CC(I)=CC=C1 31286 [1,1,0,0,0,0|1,0,0]=3 795 B9R1.2 ClCC1=CC(I)=CN=C1 27044 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 ClCC1=CN=CC(Br)=C1 26331 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.2 FC1=CC=CC(CBr)=C1 10214 [1,1,0,0,0,0|1,0,0]=3 798 B9R1.2 FC1=CC=CC(CCl)=C1 7516 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.2 N#CC1=CC(Br)=CC=C1 1584 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.2 N#CC1=CC(Cl)=CC=C1 3624 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.2 N#CC1=CC(F)=CC=C1 1579 [1,1,0,0,0,0|1,0,1]=4 802 B9R1.2 N#CC1=CC(I)=CC=C1 3935 [1,1,0,0,0,0|1,0,1]=4 803 B9R1.2 N#CC1=CC(O)=CC=C1 13113 [1,1,0,0,0,0|1,0,1]=4 804 B9R1.2 N#CC1=CC=CC(S)=C1 26190 [1,1,0,0,0,0|1,0,1]=4 805 B9R1.2 NC1=CC=CC(CO)=C1 13383 [1,1,0,0,0,0|0,0,0]=2 806 B9R1.2 NC1=NC=CC(CCl)=C1 22291 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.2 NC1=NC=CC(CO)=C1 7690 [1,1,0,0,0,0|1,0,0]=3 808 B9R1.2 NCC1=CC(Br)=CC=C1 21109 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.2 NCC1=CC(Br)=CC=C1 3750 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.2 NCC1=CC(F)=CC=C1 4417 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.2 NCC1=CC(F)=NC=C1 34830 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.2 NCC1=CC(I)=CC=C1 3302 [1,1,0,0,0,0|1,0,0]=3 813 B9R1.2 NCC1=CC(N)=CC=C1 5802 [1,1,0,0,0,0|1,0,0]=3 814 B9R1.2 NCC1=CC(N)=NC=C1 18667 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.2 NCC1=NC=CC(Br)=C1 35197 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.2 NNC1=CC(Br)=CC=C1 23212 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.2 NNC1=CC(Cl)=CC=C1 7529 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.2 NNC1=CC(F)=CC=C1 3341 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.2 O=CC1=CC(Br)=CC=C1 3728 [1,1,0,0,0,0|0,0,2]=4 820 B9R1.2 O=CC1=CC(Cl)=CC=C1 10800 [1,1,0,0,0,0|0,0,2]=4 821 B9R1.2 O=CC1=CC(F)=CC=C1 3477 [1,1,0,0,0,0|0,0,2]=4 822 B9R1.2 O=CC1=CC(I)=CC=C1 3917 [1,1,0,0,0,0|0,0,2]=4 823 B9R1.2 O=CC1=CC(O)=CC=C1 7767 [1,1,0,0,0,0|0,0,2]=4 824 B9R1.2 OCC1=CC(Br)=CC=C1 3747 [1,1,0,0,0,0|0,0,0]=2 825 B9R1.2 OCC1=CC(Br)=CN=C1 22108 [1,1,0,0,0,0|1,0,0]=3 826 B9R1.2 OCC1=CC(Br)=NC=C1 7708 [1,1,0,0,0,0|1,0,0]=3 827 B9R1.2 OCC1=CC(Cl)=CC=C1 3626 [1,1,0,0,0,0|0,0,0]=2 828 B9R1.2 OCC1=CC(Cl)=CN=C1 12982 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.2 OCC1=CC(Cl)=NC=C1 18605 [1,1,0,0,0,0|1,0,0]=3 830 B9R1.2 OCC1=CC(F)=CC=C1 3486 [1,1,0,0,0,0|0,0,0]=2 831 B9R1.2 OCC1=CC(I)=CC=C1 24776 [1,1,0,0,0,0|0,0,0]=2 832 B9R1.2 OCC1=CC(I)=CN=C1 16706 [1,1,0,0,0,0|1,0,0]=3 833 B9R1.2 OCC1=CC=CC(Br)=N1 7712 [1,1,0,0,0,0|1,0,0]=3 834 B9R1.2 OCC1=NC(Cl)=CC=C1 13322 [1,1,0,0,0,0|1,0,0]=3 835 B9R1.2 OCC1=NC(Cl)=CC=C1 18795 [1,1,0,0,0,0|1,0,0]=3 836 B9R1.2 OCC1=NC(Cl)=CN=C1 32136 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.2 OCC1=NC(I)=CC=C1 26934 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.2 OCC1=NC=CC(Br)=C1 20564 [1,1,0,0,0,0|1,0,0]=3 839 B9R1.2 OCC1=NC=CC(Cl)=C1 9828 [1,1,0,0,0,0|1,0,0]=3 840 B9R1.8 BrCCC1=CC=CN=C1 21399 [1,1,0,0,0,0|1,0,0]=3 841 B9R1.8 BrCCC1=NC=CC=C1 23421 [1,1,0,0,0,0|1,0,0]=3 842 B9R1.8 Br[Mg]CC1=CC=CC=C1 20182 [1,1,0,0,0,0|1,0,0]=3 843 B9R1.8 C=CCC1=CC=CC=C1 29358 [1,1,0,0,0,0|0,0,1]=3 844 B9R1.8 C=CSC1=CC=CC=C1 10778 [1,1,0,0,0,0|0,0,2]=4 845 B9R1.8 CCCC1=CC=CC=C1 10852 [1,1,0,0,0,0|0,0,0]=2 846 B9R1.8 CCCC1=CC=NC=C1 15021 [1,1,0,0,0,0|1,0,0]=3 847 B9R1.8 CCOC1=CC=NC=C1 1125 [1,1,0,0,0,0|1,0,0]=3 848 B9R1.8 CCOC1=NC=CC=C1 1126 [1,1,0,0,0,0|1,0,0]=3 849 B9R1.8 CCSC1=CC=CC=C1 10773 [1,1,0,0,0,0|0,0,0]=2 850 B9R1.8 CNCC1=CC=CC=C1 19910 [1,1,0,0,0,0|0,0,0]=2 851 B9R1.8 CNCC1=CC=CC=C1 25218 [1,1,0,0,0,0|0,0,0]=2 852 B9R1.8 CNCC1=CC=CC=C1 5801 [1,1,0,0,0,0|0,0,0]=2 853 B9R1.8 COCC1=CC=CC=C1 15300 [1,1,0,0,0,0|0,0,0]=2 854 B9R1.8 ClCCC1=CC=CC=C1 26674 [1,1,0,0,0,0|0,0,0]=2 855 B9R1.8 ClCCC1=CC=CN=C1 23929 [1,1,0,0,0,0|1,0,0]=3 856 B9R1.8 ClCSC1=CC=CC=C1 10735 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.8 N#CCC1=NC=CC=C1 9302 [1,1,0,0,0,0|1,0,1]=4 858 B9R1.8 NCCC1=CC=CN=C1 13196 [1,1,0,0,0,0|1,0,0]=3 859 B9R1.8 NCCC1=CC=CN=C1 14084 [1,1,0,0,0,0|1,0,0]=3 860 B9R1.8 NCCC1=CC=NC=C1 13447 [1,1,0,0,0,0|1,0,0]=3 861 B9R1.8 NCCC1=NC=CC=C1 2592 [1,1,0,0,0,0|1,0,0]=3 862 B9R1.8 NCCc1ccccc1 21077 [1,1,0,0,0,0|0,0,0]=2 863 B9R1.8 NNCC1=CC=CC=C1 29056 [1,1,0,0,0,0|1,0,0]=3 864 B9R1.8 NOCC1=CC=CC=C1 24804 [1,1,0,0,0,0|0,0,0]=2 865 B9R1.8 NOCC1=CC=CC=C1 7095 [1,1,0,0,0,0|0,0,0]=2 866 B9R1.8 OCCC1=NC=CC=C1 2593 [1,1,0,0,0,0|1,0,0]=3 867 B9R1.8 ONCC1=CC=CC=C1 25520 [1,1,0,0,0,0|0,0,0]=2 868 B9R1.8 S=C=NC1=CC=CC=C1 18702 [1,1,0,0,0,0|0,1,1]=4 869 B9R1.8 SCCC1=CC=CN=C1 25052 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.8 SCCC1=NC=CC=C1 25015 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.15 BrCC1=C(Br)C=CC=C1 16915 [1,1,0,0,0,0|1,0,0]=3 872 B9R1.15 BrCC1=C(I)C=CC=C1 14812 [1,1,0,0,0,0|1,0,0]=3 873 B9R1.15 BrCC1=CC=CN=C1Br 22284 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 C#CC1=C(Cl)C=CC=C1 2550 [1,1,0,0,0,0|0,0,2]=4 875 B9R1.15 C=CC1=C(Br)C=CC=C1 23975 [1,1,0,0,0,0|0,0,2]=4 876 B9R1.15 CC1=C(C#N)C=CC=C1 25285 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.15 CC1=C(CCl)C=CC=C1 7487 [1,1,0,0,0,0|1,0,0]=3 878 B9R1.15 CC1=C(CN)C=CC=C1 10197 [1,1,0,0,0,0|1,0,0]=3 879 B9R1.15 CC1=C(CO)C=NC=C1 34710 [1,1,0,0,0,0|1,0,0]=3 880 B9R1.15 CC1=C(NN)C=CC=C1 22584 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.15 CC1=C(NN)C=CC=C1 6396 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.15 CC1=CC=CC=C1C=O 15511 [1,1,0,0,0,0|0,0,2]=4 883 B9R1.15 CC1=NC=CC=C1CCl 26692 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.15 CC1=NC=CC=C1CO 26693 [1,1,0,0,0,0|1,0,0]=3 885 B9R1.15 CCC1=C(Br)C=CC=C1 3770 [1,1,0,0,0,0|0,0,0]=2 886 B9R1.15 CCC1=C(I)C=CC=C1 3876 [1,1,0,0,0,0|0,0,0]=2 887 B9R1.15 CCC1=C(N)C=CC=C1 20945 [1,1,0,0,0,0|0,0,0]=2 888 B9R1.15 CCC1=C(N)C=CC=C1 21080 [1,1,0,0,0,0|0,0,0]=2 889 B9R1.15 CCC1=C(O)C=CC=C1 3871 [1,1,0,0,0,0|0,0,0]=2 890 B9R1.15 CCC1=C(S)C=CC=C1 6844 [1,1,0,0,0,0|0,0,0]=2 891 B9R1.15 CCC1=CC=CN=C1N 35166 [1,1,0,0,0,0|1,0,0]=3 892 B9R1.15 CCC1=CN=CN=C1Cl 21456 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.15 CCC1=NC=CC=C1Br 27958 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.15 CCC1=NC=CN=C1C 8611 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.15 CCC1=NC=CN=C1Cl 32165 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.15 CCC1=NC=NC=C1F 17408 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.15 CC[N+]1=C(Br)C=CC=C1 35190 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.15 CNC1=C(F)C=CC=C1 15527 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.15 CNC1=C(N)C=NC=C1 29063 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.15 CNC1=CC=CC=C1N 14987 [1,1,0,0,0,0|1,0,0]=3 901 B9R1.15 COC1=C(Br)C=CC=C1 3725 [1,1,0,0,0,0|1,0,0]=3 902 B9R1.15 COC1=C(Br)C=CN=C1 20095 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.15 COC1=C(Br)C=CN=C1 34713 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.15 COC1=C(Br)C=NC=C1 6686 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.15 COC1=C(C)C=CN=C1 34674 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.15 COC1=C(Cl)C=CC=C1 3614 [1,1,0,0,0,0|1,0,0]=3 907 B9R1.15 COC1=C(Cl)C=CN=C1 33677 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.15 COC1=C(Cl)C=NC=C1 6687 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.15 COC1=C(F)C=CC=C1 3473 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.15 COC1=C(I)C=CC=C1 3898 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.15 COC1=C(I)C=NC=C1 34558 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.15 COC1=C(N)C=CN=C1 27755 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.15 COC1=C(O)C=CN=C1 34289 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.15 COC1=C(S)C=CC=C1 6816 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.15 COC1=CC=CC=C1O 26545 [1,1,0,0,0,0|1,0,0]=3 916 B9R1.15 COC1=CC=CN=C1Br 5916 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.15 COC1=CC=CN=C1C 6637 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.15 COC1=CC=CN=C1Cl 6146 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.15 COC1=CC=CN=C1N 28123 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.15 COC1=CC=CN=C1O 6543 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.15 COC1=NC=CC=C1Br 1180 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.15 COC1=NC=CC=C1C 6594 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.15 COC1=NC=CC=C1Cl 1189 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.15 COC1=NC=CC=C1F 10624 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.15 COC1=NC=CC=C1I 6586 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.15 COC1=NC=CC=C1N 1269 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.15 CSC1=C(Br)C=CC=C1 10648 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.15 CSC1=C(C)C=CC=C1 10730 [1,1,0,0,0,0|1,0,0]=3 929 B9R1.15 CSC1=C(Cl)C=CC=C1 10643 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.15 CSC1=C(F)C=CC=C1 10638 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.15 CSC1=C(I)C=CC=C1 10668 [1,1,0,0,0,0|1,0,0]=3 932 B9R1.15 CSC1=C(N)C=CC=C1 10633 [1,1,0,0,0,0|1,0,0]=3 933 B9R1.15 CSC1=C(O)C=CC=C1 10666 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.15 ClC1=C(CBr)C=CC=C1 12482 [1,1,0,0,0,0|1,0,0]=3 935 B9R1.15 ClCC1=C(Cl)C=CC=C1 10203 [1,1,0,0,0,0|1,0,0]=3 936 B9R1.15 ClCC1=NC=CC=C1Cl 27217 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.15 FC1=C(CBr)C=CC=C1 10383 [1,1,0,0,0,0|1,0,0]=3 938 B9R1.15 FC1=C(CCl)C=CC=C1 2094 [1,1,0,0,0,0|1,0,0]=3 939 B9R1.15 N#CC1=C(Br)C=CC=C1 3744 [1,1,0,0,0,0|1,0,1]=4 940 B9R1.15 N#CC1=C(F)C=CC=C1 1578 [1,1,0,0,0,0|1,0,1]=4 941 B9R1.15 N#CC1=C(I)C=CC=C1 3932 [1,1,0,0,0,0|1,0,1]=4 942 B9R1.15 N#CC1=C(O)C=CC=C1 4803 [1,1,0,0,0,0|1,0,1]=4 943 B9R1.15 N#CC1=CC=CC=C1N 13630 [1,1,0,0,0,0|1,0,1]=4 944 B9R1.15 NC1=C(C=O)C=CC=C1 15692 [1,1,0,0,0,0|0,0,2]=4 945 B9R1.15 NC1=C(CO)C=CC=C1 7478 [1,1,0,0,0,0|0,0,0]=2 946 B9R1.15 NC1=C(CO)C=CN=C1 7692 [1,1,0,0,0,0|1,0,0]=3 947 B9R1.15 NC1=C(CO)C=NC=C1 26901 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.15 NC1=CC=CN=C1CO 35900 [1,1,0,0,0,0|1,0,0]=3 949 B9R1.15 NC1=NC=CC=C1CO 7688 [1,1,0,0,0,0|1,0,0]=3 950 B9R1.15 NCC1=C(Br)C=CC=C1 20398 [1,1,0,0,0,0|1,0,0]=3 951 B9R1.15 NCC1=C(Br)C=CC=C1 3749 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.15 NCC1=C(Cl)C=CC=C1 5800 [1,1,0,0,0,0|1,0,0]=3 953 B9R1.15 NCC1=C(Cl)C=CC=C1 6155 [1,1,0,0,0,0|1,0,0]=3 954 B9R1.15 NCC1=C(F)C=CC=C1 4415 [1,1,0,0,0,0|1,0,0]=3 955 B9R1.15 NCC1=C(N)C=CC=C1 23363 [1,1,0,0,0,0|1,0,0]=3 956 B9R1.15 NCC1=C(O)C=CC=C1 7383 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.15 NCC1=CC=CN=C1Cl 17749 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.15 NCC1=NC=CC=C1O 34602 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.15 NNC1=C(Br)C=CC=C1 4463 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.15 NNC1=C(Cl)C=CC=C1 4482 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.15 NNC1=C(F)C=CC=C1 3347 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.15 NNC1=C(F)C=CC=C1 3350 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.15 O=CC1=C(Br)C=CC=C1 3727 [1,1,0,0,0,0|0,0,2]=4 964 B9R1.15 O=CC1=C(F)C=CC=C1 3476 [1,1,0,0,0,0|0,0,2]=4 965 B9R1.15 O=CC1=C(I)C=CC=C1 3914 [1,1,0,0,0,0|0,0,2]=4 966 B9R1.15 OCC1=C(Br)C=CC=C1 3746 [1,1,0,0,0,0|0,0,0]=2 967 B9R1.15 OCC1=C(Cl)C=CC=C1 3625 [1,1,0,0,0,0|0,0,0]=2 968 B9R1.15 OCC1=C(Cl)C=CN=C1 12981 [1,1,0,0,0,0|1,0,0]=3 969 B9R1.15 OCC1=C(F)C=CC=C1 3485 [1,1,0,0,0,0|0,0,0]=2 970 B9R1.15 OCC1=C(F)C=NC=C1 23891 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.15 OCC1=C(O)C=CC=C1 21869 [1,1,0,0,0,0|0,0,0]=2 972 B9R1.15 OCC1=CC=CN=C1Cl 12984 [1,1,0,0,0,0|1,0,0]=3 973 B9R1.15 OCC1=CC=CN=C1F 7351 [1,1,0,0,0,0|1,0,0]=3 974 B9R1.15 OCC1=NC=CC=C1F 15108 [1,1,0,0,0,0|1,0,0]=3 975 B9R1.15 OCC1=NC=CC=C1O 4075 [1,1,0,0,0,0|1,0,0]=3 976 B9R1.15 OCC1=NC=CN=C1Cl 32144 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.15 SCC1=C(Cl)C=CC=C1 6836 [1,1,0,0,0,0|0,1,0]=3 978 B9R1.15 SCc1ccccc1Br 6847 [1,1,0,0,0,0|0,1,0]=3 979 B9R1.11 CNC(C)C1=CC=CN1 16635 [0,1,0,0,1,0|2,0,0]=4 980 B9R1.19 CC(C)(C)C1=CC=CC1 35005 [0,1,0,0,1,0|1,0,1]=4 981 B9R1.19 CC(C)(C)C1=CC=CS1 9596 [0,1,0,0,1,0|2,0,0]=4 982 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 31604 [0,1,0,0,0,1|0,0,2]=4 983 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 28145 [0,1,0,0,0,1|0,0,2]=4 984 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 28133 [0,1,0,0,0,1|0,0,2]=4 985 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 35682 [0,1,0,0,0,1|0,0,2]=4 986 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 3342 [0,1,0,0,0,1|0,0,2]=4 987 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 26262 [0,1,0,0,0,1|0,0,2]=4 988 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 3293 [0,1,0,0,0,1|0,0,2]=4 989 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 17726 [0,1,0,0,0,1|0,0,2]=4 990 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 6832 [0,1,0,0,0,1|0,0,2]=4 991 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 3061 [0,1,0,0,0,1|0,0,2]=4 992 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [0,1,0,0,0,1|1,0,0]=3 993 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 34794 [0,1,0,0,0,1|1,0,0]=3 994 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [0,1,0,0,0,1|1,0,0]=3 995 B11R1.20 CC(C)OC1=CC=C(O)C=C1 34515 [0,1,0,0,0,1|1,0,0]=3 996 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 34828 [0,1,0,0,0,1|2,0,0]=4 997 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 22060 [0,1,0,0,0,1|2,0,0]=4 998 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [0,1,0,0,0,1|1,0,0]=3 999 B11R1.20 CC1=CC=C(CC(O)=S)C=C1 10789 [0,1,0,0,0,1|1,0,1]=4 1000 B11R1.20 FC(F)OC1=CC=C(Br)C=C1 4309 [0,1,0,0,0,1|2,0,0]=4 1001 B11R1.20 NC1=CC=C(OC(F)F)C=C1 8467 [0,1,0,0,0,1|2,0,0]=4 1002 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [0,1,0,0,0,1|1,0,1]=4 1003 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 4246 [0,1,0,0,0,1|1,0,1]=4 1004 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 4250 [0,1,0,0,0,1|1,0,1]=4 1005 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 13432 [0,1,0,0,0,1|1,0,1]=4 1006 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 19614 [0,1,0,0,0,1|1,0,1]=4 1007 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 18835 [0,1,0,0,0,1|1,0,1]=4 1008 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 22193 [0,1,0,0,0,1|1,0,1]=4 1009 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 34915 [0,1,0,0,0,1|1,0,1]=4 1010 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 35902 [0,1,0,0,0,1|1,0,1]=4 1011 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 34717 [0,1,0,0,0,1|1,0,0]=3 1012 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 21081 [0,1,0,0,0,1|1,0,1]=4 1013 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 7881 [0,1,0,0,0,1|2,0,0]=4 1014 B11R1.36 C[C@@H](C(=O)O)c1ccccc1 6079 [0,1,0,0,0,1|1,0,1]=4 1015 B11R1.36 C[C@H](C(=O)O)c1ccccc1 6862 [0,1,0,0,0,1|1,0,1]=4 1016 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 16811 [0,1,0,0,0,1|1,0,1]=4 1017 B11R1.36 N[C@@H](C(=O)O)c1ccccc1 11005 [0,1,0,0,0,1|1,0,1]=4 1018 B11R1.36 N[C@H](C(=O)O)c1ccccc1 23858 [0,1,0,0,0,1|1,0,1]=4 1019 B11R1.36 O=C(C1=CC=CC=C1)C(F)F 29143 [0,1,0,0,0,1|2,0,0]=4 1020 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [0,1,0,0,0,1|1,0,1]=4 1021 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [0,1,0,0,0,1|1,0,1]=4 1022 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [0,1,0,0,0,1|1,0,1]=4 1023 B11R1.40 C#CC(O)CC1=CC=CC=C1 35257 [0,1,0,0,0,1|0,0,1]=3 1024 B11R1.40 C#C[C@H](O)CC1=CC=CC=C1 35256 [0,1,0,0,0,1|0,0,1]=3 1025 B11R1.40 CCC(=O)NC1=CC=CC=C1 3338 [0,1,0,0,0,1|0,0,2]=4 1026 B11R1.40 CNC(=O)OC1=CC=CC=C1 35857 [0,1,0,0,0,1|0,0,2]=4 1027 B11R1.40 N#CC(O)CC1=CC=CC=C1 25761 [0,1,0,0,0,1|0,0,1]=3 1028 B11R1.40 N#C[C@@H](O)CC1=CC=CC=C1 17479 [0,1,0,0,0,1|0,0,1]=3 1029 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [0,1,0,0,0,1|1,0,0]=3 1030 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [0,1,0,0,0,1|1,0,0]=3 1031 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [0,1,0,0,0,1|1,0,0]=3 1032 B11R1.40 O=C(CF)NC1=CC=CC=C1 3369 [0,1,0,0,0,1|0,0,2]=4 1033 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 23388 [0,1,0,0,0,1|0,0,2]=4 1034 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 28140 [0,1,0,0,0,1|0,0,2]=4 1035 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 28149 [0,1,0,0,0,1|0,0,2]=4 1036 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 3830 [0,1,0,0,0,1|0,0,2]=4 1037 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 3055 [0,1,0,0,0,1|0,0,2]=4 1038 B11R1.86 CC(=O)OC1=C(F)C=CC=C1 3059 [0,1,0,0,0,1|0,0,2]=4 1039 B11R1.86 CC(=O)OC1=C(I)C=CC=C1 3062 [0,1,0,0,0,1|0,0,2]=4 1040 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 3828 [0,1,0,0,0,1|1,0,0]=3 1041 B11R1.86 CC(C)OC1=C(O)C=CC=C1 13205 [0,1,0,0,0,1|1,0,0]=3 1042 B11R1.86 CC(C)OC1=NC=CC=C1Br 6576 [0,1,0,0,0,1|2,0,0]=4 1043 B11R1.86 CC(C)OC1=NC=CC=C1I 16561 [0,1,0,0,0,1|2,0,0]=4 1044 B11R1.86 CC(C)SC1=C(N)C=CC=C1 31985 [0,1,0,0,0,1|1,0,0]=3 1045 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 20124 [0,1,0,0,0,1|1,0,1]=4 1046 B11R1.86 FC(F)OC1=C(Br)C=CC=C1 25489 [0,1,0,0,0,1|2,0,0]=4 1047 B11R1.86 NC1=C(OC(F)F)C=CC=C1 8465 [0,1,0,0,0,1|2,0,0]=4 1048 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 7214 [0,1,0,0,0,1|1,0,1]=4 1049 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 16509 [0,1,0,0,0,1|1,0,1]=4 1050 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 4164 [0,1,0,0,0,1|1,0,1]=4 1051 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 2552 [0,1,0,0,0,1|1,0,1]=4 1052 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20030 [0,1,0,0,0,1|1,0,1]=4 1053 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 25423 [0,1,0,0,0,1|0,0,2]=4 1054 B11R1.157 CC(=O)CC1=CC(Cl)=CC=C1 19805 [0,1,0,0,0,1|0,0,2]=4 1055 B11R1.157 CC(=O)CC1=CC(F)=CC=C1 35854 [0,1,0,0,0,1|0,0,2]=4 1056 B11R1.157 CC(=O)NC1=CC(C)=CC=C1 3340 [0,1,0,0,0,1|0,0,2]=4 1057 B11R1.157 CC(=O)NC1=CC(I)=CC=C1 3291 [0,1,0,0,0,1|0,0,2]=4 1058 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 3835 [0,1,0,0,0,1|0,0,2]=4 1059 B11R1.157 CC(=O)OC1=CC(Cl)=CC=C1 3057 [0,1,0,0,0,1|0,0,2]=4 1060 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 3060 [0,1,0,0,0,1|0,0,2]=4 1061 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 34333 [0,1,0,0,0,1|1,0,0]=3 1062 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 14867 [0,1,0,0,0,1|1,0,0]=3 1063 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 25863 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 28872 [0,1,0,0,0,1|1,0,1]=4 1065 B11R1.157 FC(F)OC1=CC=CC(Br)=C1 18537 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.157 NC1=CC(OC(F)F)=CC=C1 8466 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 1961 [0,1,0,0,0,1|1,0,1]=4 1068 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 4244 [0,1,0,0,0,1|1,0,1]=4 1069 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 16510 [0,1,0,0,0,1|1,0,1]=4 1070 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 4167 [0,1,0,0,0,1|1,0,1]=4 1071 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 4195 [0,1,0,0,0,1|1,0,1]=4 1072 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 21773 [0,1,0,0,0,1|1,0,1]=4 1073 B11R1.157 OC1=CC(OC(F)F)=CC=C1 31094 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 22292 [0,1,0,0,0,1|1,0,1]=4 1075 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 21920 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 26241 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7798 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7799 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.509 ClC(Cl)(Cl)OC1=CC=CC=C1 24294 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.509 FC(F)(F)OC1=CC=CC=C1 7458 [0,1,0,0,0,1|2,0,0]=4 1081 B11R1.509 FC(F)(F)SC1=CC=CC=C1 10400 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 33845 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 30393 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 20531 [0,2,0,0,0,0|1,0,1]=4 1085 B11R1.3 C=CC1=CC=C(B(O)O)C=C1 26297 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 12624 [0,2,0,0,0,0|1,0,1]=4 1087 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 3305 [0,2,0,0,0,0|0,0,2]=4 1088 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 23568 [0,2,0,0,0,0|0,0,2]=4 1089 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 31192 [0,2,0,0,0,0|0,0,2]=4 1090 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 31334 [0,2,0,0,0,0|0,0,2]=4 1091 B11R1.3 CC(C)C1=CC=C(NN)C=C1 7533 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.3 CCC1=CC=C(B(O)O)C=C1 7884 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 15495 [0,2,0,0,0,0|0,0,2]=4 1094 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 8085 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.3 CN(C)C1=CC=C(CO)C=C1 36061 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 4517 [0,2,0,0,0,0|1,0,1]=4 1097 B11R1.3 COC1=CC=C(B(O)O)C=C1 15445 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.3 COC1=CC=C(B(O)O)C=C1 1867 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.3 COC1=CC=C(C(=O)O)C=C1 23856 [0,2,0,0,0,0|1,0,1]=4 1100 B11R1.3 COC1=CC=C(C(C)=O)C=C1 3324 [0,2,0,0,0,0|0,0,2]=4 1101 B11R1.3 COC1=CC=C(N(C)C)C=C1 16956 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.3 COc1ccc([C@@H](C)N)cc1 9920 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.3 COc1ccc([C@H](C)N)cc1 9919 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.3 CSC1=CC=C(B(O)O)C=C1 9544 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 3333 [0,2,0,0,0,0|0,0,2]=4 1106 B11R1.3 ClCC1=CC=C(C(Cl)Cl)C=C1 31325 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 1809 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 19745 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.3 NCC1=CC=C(B(O)O)C=C1 5251 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.3 NCC1=CC=C(B(O)O)C=C1 7897 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 5815 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7535 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 7572 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 28146 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 15446 [0,2,0,0,0,0|1,0,1]=4 1116 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 12790 [0,2,0,0,0,0|1,0,1]=4 1117 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 1720 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 8075 [0,2,0,0,0,0|1,0,1]=4 1119 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 7903 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.3 OB(O)C1=CC=C(CCl)C=C1 8937 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.3 OCC1=CC=C(B(O)O)C=C1 1726 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.3 [C-]#[N+]C1=CC=C([C@@H](C)O)C=C1 14238 [0,2,0,0,0,0|0,0,0]=2 1123 B11R1.3 [C-]#[N+]C1=CC=C([C@H](C)O)C=C1 14243 [0,2,0,0,0,0|0,0,0]=2 1124 B11R1.19 CC(C)(C)C1=CC=C(Br)C=C1 12522 [0,2,0,0,0,0|1,0,0]=3 1125 B11R1.19 CC(C)(C)C1=CC=C(I)C=C1 3974 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 21472 [0,2,0,0,0,0|1,0,0]=3 1127 B11R1.19 CC(C)(C)C1=CC=C(S)C=C1 6846 [0,2,0,0,0,0|1,0,0]=3 1128 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 16914 [0,2,0,0,0,0|1,0,0]=3 1129 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 30340 [0,2,0,0,0,0|1,0,0]=3 1130 B11R1.19 CC(F)(F)C1=CC=C(Br)C=C1 26273 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.19 CC(F)(F)C1=CC=C(Cl)C=C1 44754 [0,2,0,0,0,0|1,0,0]=3 1132 B11R1.19 CC1=CC=C(C(C)(C)C)C=C1 36092 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.19 CC1=CC=C(C(F)(F)F)C=C1 1659 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11532 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 11533 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 12609 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16860 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 16861 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 17362 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 19403 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22148 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 22657 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 26313 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 18694 [0,2,0,0,0,0|1,0,1]=4 1145 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 10858 [0,2,0,0,0,0|1,0,1]=4 1146 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 10874 [0,2,0,0,0,0|1,0,1]=4 1147 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 10873 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 10832 [0,2,0,0,0,0|1,0,1]=4 1149 B11R1.19 C[Si](C)(C)c1ccc(F)cc1 28497 [0,2,0,0,0,0|1,1,0]=4 1150 B11R1.19 ClC1=CC=C(C(Cl)(Cl)Cl)C=C1 22049 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 11717 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.19 FC(F)(F)C1=CC=C(Br)C=C1 1635 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.19 FC(F)(F)C1=CC=C(Cl)C=C1 5435 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.19 FC(F)(F)C1=CC=C(I)C=C1 3563 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.19 FC(F)(F)C1=CC=C(S)C=C1 6864 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.19 FC1=CC=C(C(F)(F)F)C=C1 5437 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 2815 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 2816 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 20323 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.19 OC1=CC=C(C(F)(F)F)C=C1 4011 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 29264 [0,2,0,0,0,0|0,0,2]=4 1162 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 29259 [0,2,0,0,0,0|0,0,2]=4 1163 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 4100 [0,2,0,0,0,0|0,0,2]=4 1164 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 29246 [0,2,0,0,0,0|0,0,2]=4 1165 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=C1 29265 [0,2,0,0,0,0|0,0,2]=4 1166 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 24740 [0,2,0,0,0,0|0,0,2]=4 1167 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 19762 [0,2,0,0,0,0|0,0,2]=4 1168 B11R1.21 CC(=O)C1=CC(C)=C(O)C=C1 15346 [0,2,0,0,0,0|0,0,2]=4 1169 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 31191 [0,2,0,0,0,0|0,0,2]=4 1170 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 3383 [0,2,0,0,0,0|0,0,2]=4 1171 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 4202 [0,2,0,0,0,0|0,0,2]=4 1172 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 19715 [0,2,0,0,0,0|0,0,2]=4 1173 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 29271 [0,2,0,0,0,0|0,0,2]=4 1174 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 25810 [0,2,0,0,0,0|0,0,2]=4 1175 B11R1.21 CC(=O)C1=CC(F)=C(C)C=C1 29155 [0,2,0,0,0,0|0,0,2]=4 1176 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 28237 [0,2,0,0,0,0|0,0,2]=4 1177 B11R1.21 CC(=O)C1=CC(F)=C(F)C=C1 3089 [0,2,0,0,0,0|0,0,2]=4 1178 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 24416 [0,2,0,0,0,0|0,0,2]=4 1179 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 3492 [0,2,0,0,0,0|0,0,2]=4 1180 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 7322 [0,2,0,0,0,0|0,0,2]=4 1181 B11R1.21 CC(=O)C1=CC(O)=C(C)C=C1 31188 [0,2,0,0,0,0|0,0,2]=4 1182 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 3384 [0,2,0,0,0,0|0,0,2]=4 1183 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 28245 [0,2,0,0,0,0|0,0,2]=4 1184 B11R1.21 CC(=O)c1ccc(C)c(O)c1 24105 [0,2,0,0,0,0|0,0,2]=4 1185 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 27504 [0,2,0,0,0,0|0,0,2]=4 1186 B11R1.21 CC(C)C1=CC(Br)=C(N)C=C1 17446 [0,2,0,0,0,0|1,0,0]=3 1187 B11R1.21 CC(C)C1=CC(O)=C(I)C=C1 34596 [0,2,0,0,0,0|1,0,0]=3 1188 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 26367 [0,2,0,0,0,0|1,0,0]=3 1189 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 3806 [0,2,0,0,0,0|1,0,1]=4 1190 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 3807 [0,2,0,0,0,0|1,0,1]=4 1191 B11R1.21 CC1=C(Br)C=CC(N(C)C)=C1 5345 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 1832 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 14893 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 5132 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 4569 [0,2,0,0,0,0|1,0,1]=4 1196 B11R1.21 CC1=C(Cl)C=CC(B(O)O)=C1 29622 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 3666 [0,2,0,0,0,0|1,0,1]=4 1198 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 5124 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 1330 [0,2,0,0,0,0|1,0,1]=4 1200 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 5146 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 1397 [0,2,0,0,0,0|1,0,1]=4 1202 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 3947 [0,2,0,0,0,0|1,0,1]=4 1203 B11R1.21 CC1=C(I)C=CC(C(=O)O)=C1 3948 [0,2,0,0,0,0|1,0,1]=4 1204 B11R1.21 CC1=C(N)C=C(B(O)O)C=C1 1745 [0,2,0,0,0,0|2,0,0]=4 1205 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 8194 [0,2,0,0,0,0|1,0,1]=4 1206 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 25919 [0,2,0,0,0,0|1,0,0]=3 1207 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 28331 [0,2,0,0,0,0|1,0,0]=3 1208 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 2067 [0,2,0,0,0,0|1,0,1]=4 1209 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 33878 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 3890 [0,2,0,0,0,0|1,0,1]=4 1211 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 10329 [0,2,0,0,0,0|1,0,0]=3 1212 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 32616 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 20044 [0,2,0,0,0,0|1,0,1]=4 1214 B11R1.21 CN(C)C1=CC(F)=C(F)C=C1 5241 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.21 CN(C)C1=CC(F)=C(I)C=C1 28131 [0,2,0,0,0,0|2,0,0]=4 1216 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 3130 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 1735 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 29645 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 8988 [0,2,0,0,0,0|1,0,1]=4 1220 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 3524 [0,2,0,0,0,0|1,0,1]=4 1221 B11R1.21 NC1=C(F)C=CC(B(O)O)=C1 1743 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 4690 [0,2,0,0,0,0|1,0,1]=4 1223 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 14046 [0,2,0,0,0,0|1,0,1]=4 1224 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 29055 [0,2,0,0,0,0|1,0,1]=4 1225 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 14418 [0,2,0,0,0,0|1,0,1]=4 1226 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 20504 [0,2,0,0,0,0|1,0,1]=4 1227 B11R1.21 Nc1ccc(C(=O)O)cc1Cl 4652 [0,2,0,0,0,0|1,0,1]=4 1228 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 28612 [0,2,0,0,0,0|1,0,1]=4 1229 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 3585 [0,2,0,0,0,0|1,0,1]=4 1230 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 1320 [0,2,0,0,0,0|1,0,1]=4 1231 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 25903 [0,2,0,0,0,0|1,0,1]=4 1232 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 24806 [0,2,0,0,0,0|1,0,1]=4 1233 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 3686 [0,2,0,0,0,0|1,0,1]=4 1234 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 1334 [0,2,0,0,0,0|1,0,1]=4 1235 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 13038 [0,2,0,0,0,0|1,0,1]=4 1236 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 1316 [0,2,0,0,0,0|1,0,1]=4 1237 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 1333 [0,2,0,0,0,0|1,0,1]=4 1238 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 1337 [0,2,0,0,0,0|1,0,1]=4 1239 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 29708 [0,2,0,0,0,0|1,0,1]=4 1240 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 1388 [0,2,0,0,0,0|1,0,1]=4 1241 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 2271 [0,2,0,0,0,0|1,0,1]=4 1242 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 28092 [0,2,0,0,0,0|1,0,1]=4 1243 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 12500 [0,2,0,0,0,0|1,0,1]=4 1244 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 1390 [0,2,0,0,0,0|1,0,1]=4 1245 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 28093 [0,2,0,0,0,0|1,0,1]=4 1246 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 32382 [0,2,0,0,0,0|1,0,1]=4 1247 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 17671 [0,2,0,0,0,0|1,0,1]=4 1248 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 14051 [0,2,0,0,0,0|1,0,1]=4 1249 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 3494 [0,2,0,0,0,0|1,0,1]=4 1250 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 28669 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 9738 [0,2,0,0,0,0|1,0,1]=4 1252 B11R1.21 OB(O)C1=CC(Cl)=C(Cl)C=C1 1812 [0,2,0,0,0,0|2,0,0]=4 1253 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 1780 [0,2,0,0,0,0|2,0,0]=4 1254 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 29592 [0,2,0,0,0,0|2,0,0]=4 1255 B11R1.21 OB(O)C1=CC(F)=C(Br)C=C1 7779 [0,2,0,0,0,0|2,0,0]=4 1256 B11R1.21 OB(O)C1=CC(F)=C(Cl)C=C1 1776 [0,2,0,0,0,0|2,0,0]=4 1257 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 1821 [0,2,0,0,0,0|2,0,0]=4 1258 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 18807 [0,2,0,0,0,0|2,0,0]=4 1259 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 27874 [0,2,0,0,0,0|2,0,0]=4 1260 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 32617 [0,2,0,0,0,0|2,0,0]=4 1261 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 7423 [0,2,0,0,0,0|0,0,2]=4 1262 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 22351 [0,2,0,0,0,0|0,0,2]=4 1263 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 23893 [0,2,0,0,0,0|0,0,2]=4 1264 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [0,2,0,0,0,0|0,0,0]=2 1265 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 12477 [0,2,0,0,0,0|0,0,2]=4 1266 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 20971 [0,2,0,0,0,0|0,0,2]=4 1267 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 36050 [0,2,0,0,0,0|0,0,2]=4 1268 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 12578 [0,2,0,0,0,0|0,0,2]=4 1269 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [0,2,0,0,0,0|0,0,2]=4 1270 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [0,2,0,0,0,0|0,0,0]=2 1271 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [0,2,0,0,0,0|0,0,0]=2 1272 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [0,2,0,0,0,0|0,0,0]=2 1273 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 3962 [0,2,0,0,0,0|0,0,2]=4 1274 B11R1.22 COC(=O)C1=CC=C(C)C=C1 15479 [0,2,0,0,0,0|0,0,2]=4 1275 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 3708 [0,2,0,0,0,0|0,0,2]=4 1276 B11R1.22 COC(=O)C1=CC=C(F)C=C1 3566 [0,2,0,0,0,0|0,0,2]=4 1277 B11R1.22 COC(=O)C1=CC=C(I)C=C1 20378 [0,2,0,0,0,0|0,0,2]=4 1278 B11R1.22 COC(=O)C1=CC=C(N)C=C1 28506 [0,2,0,0,0,0|0,0,2]=4 1279 B11R1.22 COC(=O)C1=CC=C(O)C=C1 27407 [0,2,0,0,0,0|0,0,2]=4 1280 B11R1.22 COC(=O)C1=CC=C(O)C=C1 35335 [0,2,0,0,0,0|0,0,2]=4 1281 B11R1.22 N#C[C@H](O)C1=CC=C(Br)C=C1 17476 [0,2,0,0,0,0|0,0,1]=3 1282 B11R1.22 N#C[C@H](O)C1=CC=C(Cl)C=C1 17478 [0,2,0,0,0,0|0,0,1]=3 1283 B11R1.22 NC1=CC=C(C(=O)CBr)C=C1 29245 [0,2,0,0,0,0|0,0,2]=4 1284 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 16820 [0,2,0,0,0,0|0,0,2]=4 1285 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 16752 [0,2,0,0,0,0|0,0,2]=4 1286 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 22326 [0,2,0,0,0,0|0,0,2]=4 1287 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [0,2,0,0,0,0|0,0,0]=2 1288 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [0,2,0,0,0,0|0,0,0]=2 1289 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 28432 [0,2,0,0,0,0|1,0,1]=4 1290 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 16821 [0,2,0,0,0,0|0,0,2]=4 1291 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 3260 [0,2,0,0,0,0|0,0,2]=4 1292 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 13415 [0,2,0,0,0,0|0,0,2]=4 1293 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 22524 [0,2,0,0,0,0|0,0,2]=4 1294 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 3320 [0,2,0,0,0,0|0,0,2]=4 1295 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 7424 [0,2,0,0,0,0|0,0,2]=4 1296 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 3372 [0,2,0,0,0,0|0,0,2]=4 1297 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 3269 [0,2,0,0,0,0|0,0,2]=4 1298 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 29269 [0,2,0,0,0,0|0,0,2]=4 1299 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [0,2,0,0,0,0|0,0,0]=2 1300 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 29275 [0,2,0,0,0,0|0,0,2]=4 1301 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 29258 [0,2,0,0,0,0|0,0,2]=4 1302 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 8533 [0,2,0,0,0,0|0,0,2]=4 1303 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 28228 [0,2,0,0,0,0|0,0,2]=4 1304 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 29261 [0,2,0,0,0,0|0,0,2]=4 1305 B11R1.166 CC(=O)C1=C(C)C=C(Br)C=C1 31226 [0,2,0,0,0,0|0,0,2]=4 1306 B11R1.166 CC(=O)C1=C(C)C=C(C)C=C1 3376 [0,2,0,0,0,0|0,0,2]=4 1307 B11R1.166 CC(=O)C1=C(C)C=C(Cl)C=C1 29273 [0,2,0,0,0,0|0,0,2]=4 1308 B11R1.166 CC(=O)C1=C(C)C=C(O)C=C1 24792 [0,2,0,0,0,0|0,0,2]=4 1309 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 3265 [0,2,0,0,0,0|0,0,2]=4 1310 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 13619 [0,2,0,0,0,0|0,0,2]=4 1311 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 4187 [0,2,0,0,0,0|0,0,2]=4 1312 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 28238 [0,2,0,0,0,0|0,0,2]=4 1313 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 29270 [0,2,0,0,0,0|0,0,2]=4 1314 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 24789 [0,2,0,0,0,0|0,0,2]=4 1315 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 4207 [0,2,0,0,0,0|0,0,2]=4 1316 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 4213 [0,2,0,0,0,0|0,0,2]=4 1317 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 24419 [0,2,0,0,0,0|0,0,2]=4 1318 B11R1.166 CC(=O)C1=C(N)C=C(Cl)C=C1 36301 [0,2,0,0,0,0|0,0,2]=4 1319 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 27374 [0,2,0,0,0,0|0,0,2]=4 1320 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 19929 [0,2,0,0,0,0|0,0,2]=4 1321 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 16935 [0,2,0,0,0,0|0,0,2]=4 1322 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 29061 [0,2,0,0,0,0|0,0,2]=4 1323 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 13252 [0,2,0,0,0,0|0,0,2]=4 1324 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 28229 [0,2,0,0,0,0|0,0,2]=4 1325 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 3375 [0,2,0,0,0,0|0,0,2]=4 1326 B11R1.166 CC(C)C1=C(O)C=C(O)C=C1 35906 [0,2,0,0,0,0|1,0,0]=3 1327 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 29614 [0,2,0,0,0,0|2,0,0]=4 1328 B11R1.166 CC1=C(B(O)O)C=CC(F)=C1 1852 [0,2,0,0,0,0|2,0,0]=4 1329 B11R1.166 CC1=C(B(O)O)C=CC(O)=C1 29621 [0,2,0,0,0,0|2,0,0]=4 1330 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 4029 [0,2,0,0,0,0|1,0,1]=4 1331 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 4570 [0,2,0,0,0,0|1,0,1]=4 1332 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 1327 [0,2,0,0,0,0|1,0,1]=4 1333 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 10924 [0,2,0,0,0,0|1,0,1]=4 1334 B11R1.166 CC1=C(N(C)C)C=CC(Br)=C1 5343 [0,2,0,0,0,0|2,0,0]=4 1335 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 4719 [0,2,0,0,0,0|1,0,1]=4 1336 B11R1.166 CC1=CC(Br)=C(N(C)C)C=C1 5342 [0,2,0,0,0,0|2,0,0]=4 1337 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 9565 [0,2,0,0,0,0|2,0,0]=4 1338 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 15441 [0,2,0,0,0,0|1,0,1]=4 1339 B11R1.166 CC1=CC(C)=C(C(F)F)C=C1 28468 [0,2,0,0,0,0|2,0,0]=4 1340 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 1778 [0,2,0,0,0,0|2,0,0]=4 1341 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 4567 [0,2,0,0,0,0|1,0,1]=4 1342 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 23775 [0,2,0,0,0,0|2,0,0]=4 1343 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 1395 [0,2,0,0,0,0|1,0,1]=4 1344 B11R1.166 CC1=CC(I)=C(C(=O)O)C=C1 30572 [0,2,0,0,0,0|1,0,1]=4 1345 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 4952 [0,2,0,0,0,0|1,0,1]=4 1346 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 32852 [0,2,0,0,0,0|2,0,0]=4 1347 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 18270 [0,2,0,0,0,0|1,0,1]=4 1348 B11R1.166 CN(C)C1=C(Br)C=C(F)C=C1 5227 [0,2,0,0,0,0|2,0,0]=4 1349 B11R1.166 CN(C)C1=C(Cl)C=C(Br)C=C1 5366 [0,2,0,0,0,0|2,0,0]=4 1350 B11R1.166 CN(C)C1=C(Cl)C=C(F)C=C1 5235 [0,2,0,0,0,0|2,0,0]=4 1351 B11R1.166 CN(C)C1=C(F)C=C(Br)C=C1 5229 [0,2,0,0,0,0|2,0,0]=4 1352 B11R1.166 CN(C)C1=C(F)C=C(Cl)C=C1 5236 [0,2,0,0,0,0|2,0,0]=4 1353 B11R1.166 CN(C)C1=C(F)C=C(F)C=C1 5240 [0,2,0,0,0,0|2,0,0]=4 1354 B11R1.166 C[C@H](O)C1=C(Cl)C=C(F)C=C1 15575 [0,2,0,0,0,0|0,0,0]=2 1355 B11R1.166 Clc1ccc(C(Cl)Cl)c(Cl)c1 31174 [0,2,0,0,0,0|2,0,0]=4 1356 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 20178 [0,2,0,0,0,0|2,0,0]=4 1357 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 13462 [0,2,0,0,0,0|1,0,1]=4 1358 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 11211 [0,2,0,0,0,0|1,0,1]=4 1359 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 1323 [0,2,0,0,0,0|1,0,1]=4 1360 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 22552 [0,2,0,0,0,0|1,0,1]=4 1361 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 3109 [0,2,0,0,0,0|1,0,1]=4 1362 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 4693 [0,2,0,0,0,0|1,0,1]=4 1363 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 23542 [0,2,0,0,0,0|1,0,1]=4 1364 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 3856 [0,2,0,0,0,0|1,0,1]=4 1365 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 4028 [0,2,0,0,0,0|1,0,1]=4 1366 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 1314 [0,2,0,0,0,0|1,0,1]=4 1367 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 3586 [0,2,0,0,0,0|1,0,1]=4 1368 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 21313 [0,2,0,0,0,0|1,0,1]=4 1369 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 1370 [0,2,0,0,0,0|1,0,1]=4 1370 B11R1.166 O=C(O)C1=C(Cl)C=C(I)C=C1 10153 [0,2,0,0,0,0|1,0,1]=4 1371 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 4561 [0,2,0,0,0,0|1,0,1]=4 1372 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 1313 [0,2,0,0,0,0|1,0,1]=4 1373 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 1374 [0,2,0,0,0,0|1,0,1]=4 1374 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 1336 [0,2,0,0,0,0|1,0,1]=4 1375 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 1384 [0,2,0,0,0,0|1,0,1]=4 1376 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 2608 [0,2,0,0,0,0|1,0,1]=4 1377 B11R1.166 O=C(O)C1=C(I)C=C(Br)C=C1 13466 [0,2,0,0,0,0|1,0,1]=4 1378 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 4018 [0,2,0,0,0,0|1,0,1]=4 1379 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 1389 [0,2,0,0,0,0|1,0,1]=4 1380 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 27646 [0,2,0,0,0,0|1,0,1]=4 1381 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 4010 [0,2,0,0,0,0|1,0,1]=4 1382 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 3845 [0,2,0,0,0,0|1,0,1]=4 1383 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 3493 [0,2,0,0,0,0|1,0,1]=4 1384 B11R1.166 O=C(O)C1=C(O)C=C(I)C=C1 3888 [0,2,0,0,0,0|1,0,1]=4 1385 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)C=C1 1806 [0,2,0,0,0,0|2,0,0]=4 1386 B11R1.166 OB(O)C1=C(Cl)C=C(F)C=C1 5050 [0,2,0,0,0,0|2,0,0]=4 1387 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 25620 [0,2,0,0,0,0|2,0,0]=4 1388 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 7778 [0,2,0,0,0,0|2,0,0]=4 1389 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 5034 [0,2,0,0,0,0|2,0,0]=4 1390 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 1815 [0,2,0,0,0,0|2,0,0]=4 1391 B11R1.166 OB(O)C1=C(F)C=C(I)C=C1 7885 [0,2,0,0,0,0|2,0,0]=4 1392 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 32854 [0,2,0,0,0,0|2,0,0]=4 1393 B11R1.166 OB(O)C1=C(O)C=C(Cl)C=C1 33194 [0,2,0,0,0,0|2,0,0]=4 1394 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 32850 [0,2,0,0,0,0|2,0,0]=4 1395 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 21780 [0,2,0,0,0,0|0,0,0]=2 1396 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 10864 [0,2,0,0,0,0|1,0,1]=4 1397 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 22730 [0,2,0,0,0,0|1,0,1]=4 1398 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 10047 [0,2,0,0,0,0|1,0,0]=3 1399 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 10826 [0,2,0,0,0,0|1,0,1]=4 1400 B11R1.12 CCN(CC)c1ccccc1 18261 [0,2,0,0,0,0|2,0,0]=4 1401 B11R1.12 CC[C@H](CN)C1=CC=CC=C1 24721 [0,2,0,0,0,0|1,0,0]=3 1402 B11R1.12 COC(OC)C1=CC=CC=C1 21955 [0,2,0,0,0,0|0,0,0]=2 1403 B11R1.12 COC(OC)C1=NC=NC=C1 27977 [0,2,0,0,0,0|2,0,0]=4 1404 B11R1.12 C\C=C(\C=O)C1=CC=CC=C1 10989 [0,2,0,0,0,0|0,0,2]=4 1405 B11R1.12 N#CC(C#N)C1=CC=CC=C1 10707 [0,2,0,0,0,0|1,0,1]=4 1406 B11R1.12 OCC(CO)C1=CC=CC=C1 20386 [0,2,0,0,0,0|0,0,0]=2 1407 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [0,2,0,0,0,0|1,0,0]=3 1408 B11R1.16 CNCC(=O)C1=CC=CC=C1 19826 [0,2,0,0,0,0|0,0,2]=4 1409 B11R1.16 C[C@@H](N=C=O)c1ccccc1 8096 [0,2,0,0,0,0|0,0,1]=3 1410 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 8097 [0,2,0,0,0,0|0,0,1]=3 1411 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 14016 [0,2,0,0,0,0|0,0,2]=4 1412 B11R1.16 N#CCC(=O)C1=CC=CC=C1 14543 [0,2,0,0,0,0|0,0,2]=4 1413 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [0,2,0,0,0,0|1,0,0]=3 1414 B11R1.16 NCCC(=O)C1=CC=CC=C1 29292 [0,2,0,0,0,0|0,0,2]=4 1415 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [0,2,0,0,0,0|1,0,0]=3 1416 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [0,2,0,0,0,0|1,0,0]=3 1417 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [0,2,0,0,0,0|1,0,0]=3 1418 B11R1.16 O=C(CCCl)C1=CC=CC=C1 14089 [0,2,0,0,0,0|0,0,2]=4 1419 B11R1.16 O=C(CCF)C1=CC=CC=C1 26688 [0,2,0,0,0,0|0,0,2]=4 1420 B11R1.16 O=C(NCO)C1=CC=CC=C1 12540 [0,2,0,0,0,0|0,0,2]=4 1421 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [0,2,0,0,0,0|0,0,0]=2 1422 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [0,2,0,0,0,0|0,0,0]=2 1423 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [0,2,0,0,0,0|0,0,0]=2 1424 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 19020 [0,2,0,0,0,0|0,0,2]=4 1425 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 3083 [0,2,0,0,0,0|0,0,2]=4 1426 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 28263 [0,2,0,0,0,0|0,0,2]=4 1427 B11R1.23 CCC(=O)C1=CC(O)=CC=C1 25952 [0,2,0,0,0,0|0,0,2]=4 1428 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 14198 [0,2,0,0,0,0|0,0,2]=4 1429 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 3961 [0,2,0,0,0,0|0,0,2]=4 1430 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 36244 [0,2,0,0,0,0|0,0,2]=4 1431 B11R1.23 COC(=O)C1=CC(F)=CC=C1 25450 [0,2,0,0,0,0|0,0,2]=4 1432 B11R1.23 COC(=O)C1=CC(I)=CC=C1 28675 [0,2,0,0,0,0|0,0,2]=4 1433 B11R1.23 COC(=O)C1=CC(N)=CC=C1 16709 [0,2,0,0,0,0|0,0,2]=4 1434 B11R1.23 COC(=O)C1=CC(O)=CC=C1 12550 [0,2,0,0,0,0|0,0,2]=4 1435 B11R1.23 COC(=O)C1=CC(S)=CC=C1 20230 [0,2,0,0,0,0|0,0,2]=4 1436 B11R1.23 COC(=O)C1=CC=CC(C)=C1 15491 [0,2,0,0,0,0|0,0,2]=4 1437 B11R1.23 NCC(=O)c1cccc(Br)c1 31219 [0,2,0,0,0,0|0,0,2]=4 1438 B11R1.23 NCC(O)C1=CC(Br)=CC=C1 19650 [0,2,0,0,0,0|0,0,0]=2 1439 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19371 [0,2,0,0,0,0|0,0,0]=2 1440 B11R1.23 NC[C@@H](O)C1=CC(Cl)=CC=C1 19372 [0,2,0,0,0,0|0,0,0]=2 1441 B11R1.23 N[C@@H](CO)C1=CC(Cl)=CC=C1 5640 [0,2,0,0,0,0|1,0,0]=3 1442 B11R1.23 N\C(=N/O)C1=CC(Cl)=CC=C1 23438 [0,2,0,0,0,0|1,0,1]=4 1443 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 29255 [0,2,0,0,0,0|0,0,2]=4 1444 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 29257 [0,2,0,0,0,0|0,0,2]=4 1445 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 13417 [0,2,0,0,0,0|0,0,2]=4 1446 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 16446 [0,2,0,0,0,0|0,0,2]=4 1447 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 3370 [0,2,0,0,0,0|0,0,2]=4 1448 B11R1.23 O=C(CCl)C1=CC(O)=CC=C1 16445 [0,2,0,0,0,0|0,0,2]=4 1449 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 10937 [0,2,0,0,0,0|1,0,1]=4 1450 B11R1.23 OC(CBr)C1=CC(Cl)=CC=C1 5669 [0,2,0,0,0,0|0,0,0]=2 1451 B11R1.23 O[C@H](CCl)C1=CC(Cl)=CC=C1 15567 [0,2,0,0,0,0|0,0,0]=2 1452 B11R1.222 CCC(=O)C1=C(F)C=CC=C1 19917 [0,2,0,0,0,0|0,0,2]=4 1453 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 21422 [0,2,0,0,0,0|0,0,2]=4 1454 B11R1.222 CCC(C)C1=C(N)C=CC=C1 28284 [0,2,0,0,0,0|1,0,0]=3 1455 B11R1.222 CCC(O)C1=C(F)C=CC=C1 19915 [0,2,0,0,0,0|0,0,0]=2 1456 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 3956 [0,2,0,0,0,0|0,0,2]=4 1457 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 3707 [0,2,0,0,0,0|0,0,2]=4 1458 B11R1.222 COC(=O)C1=C(F)C=CC=C1 3565 [0,2,0,0,0,0|0,0,2]=4 1459 B11R1.222 COC(=O)C1=C(I)C=CC=C1 10568 [0,2,0,0,0,0|0,0,2]=4 1460 B11R1.222 COC(=O)C1=CC=CC=C1C 15492 [0,2,0,0,0,0|0,0,2]=4 1461 B11R1.222 COC(=O)C1=CC=CC=C1N 13629 [0,2,0,0,0,0|0,0,2]=4 1462 B11R1.222 COC(=O)C1=CC=CC=C1S 10565 [0,2,0,0,0,0|0,0,2]=4 1463 B11R1.222 NC1=C(C(=O)CBr)C=CC=C1 29244 [0,2,0,0,0,0|0,0,2]=4 1464 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 29248 [0,2,0,0,0,0|0,0,2]=4 1465 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 29130 [0,2,0,0,0,0|0,0,2]=4 1466 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 19367 [0,2,0,0,0,0|0,0,0]=2 1467 B11R1.222 NC[C@@H](O)C1=C(Cl)C=CC=C1 19368 [0,2,0,0,0,0|0,0,0]=2 1468 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 16835 [0,2,0,0,0,0|0,0,2]=4 1469 B11R1.222 O=C(CBr)c1ccccc1Cl 11080 [0,2,0,0,0,0|0,0,2]=4 1470 B11R1.222 OC[C@@H](O)C1=C(Cl)C=CC=C1 16150 [0,2,0,0,0,0|0,0,0]=2 1471 B11R1.87 CC(C)(C)C1=C(N)C=CC=C1 20188 [0,2,0,0,0,0|1,0,0]=3 1472 B11R1.87 CC(C)(O)C1=C(Br)C=CC=C1 18555 [0,2,0,0,0,0|0,0,0]=2 1473 B11R1.87 CC(C)(O)C1=CC=CN=C1F 21047 [0,2,0,0,0,0|1,0,0]=3 1474 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 27429 [0,2,0,0,0,0|1,0,0]=3 1475 B11R1.87 CC1=C(C(F)(F)F)C=CC=C1 1657 [0,2,0,0,0,0|2,0,0]=4 1476 B11R1.87 CS(=O)(=O)C1=C(Br)C=CC=C1 16799 [0,2,0,0,0,0|1,0,1]=4 1477 B11R1.87 CS(=O)(=O)C1=C(Cl)C=CC=C1 10825 [0,2,0,0,0,0|1,0,1]=4 1478 B11R1.87 CS(=O)(=O)C1=C(F)C=CC=C1 10824 [0,2,0,0,0,0|1,0,1]=4 1479 B11R1.87 ClC1=C(C(Cl)(Cl)Cl)C=CC=C1 22047 [0,2,0,0,0,0|2,0,0]=4 1480 B11R1.87 FC(F)(F)C1=C(Br)C=CC=C1 1633 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.87 FC(F)(F)C1=C(Cl)C=CC=C1 3409 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.87 FC(F)(F)C1=C(I)C=CC=C1 3561 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.87 FC(F)(F)C1=C(S)C=CC=C1 6860 [0,2,0,0,0,0|2,0,0]=4 1484 B11R1.87 FC1=C(C(F)(F)F)C=CC=C1 2740 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.87 NC1=C(C(F)(F)F)C=CC=C1 2777 [0,2,0,0,0,0|2,0,0]=4 1486 B11R1.87 OC1=C(C(F)(F)F)C=CC=C1 10389 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.155 CC(C)(C)C1=CC(Cl)=NC=C1 36542 [0,2,0,0,0,0|2,0,0]=4 1488 B11R1.155 CC(C)(C)C1=CC=CC(Br)=C1 4314 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.155 CC(C)(C)C1=CC=CC(N)=C1 4364 [0,2,0,0,0,0|1,0,0]=3 1490 B11R1.155 CC(C)(O)C1=CC(Br)=CC=C1 25421 [0,2,0,0,0,0|0,0,0]=2 1491 B11R1.155 CC1=CC=CC(C(F)(F)F)=C1 1658 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.155 CS(=O)(=O)C1=CC(Br)=CC=C1 10859 [0,2,0,0,0,0|1,0,1]=4 1493 B11R1.155 CS(=O)(=O)C1=CC(Cl)=CC=C1 28980 [0,2,0,0,0,0|1,0,1]=4 1494 B11R1.155 CS(=O)(=O)C1=CC(F)=CC=C1 10829 [0,2,0,0,0,0|1,0,1]=4 1495 B11R1.155 FC(F)(F)C1=CC(Br)=CC=C1 1634 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.155 FC(F)(F)C1=CC(Cl)=CC=C1 3410 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.155 FC(F)(F)C1=CC(I)=CC=C1 3562 [0,2,0,0,0,0|2,0,0]=4 1498 B11R1.155 FC(F)(F)C1=CC=CC(S)=C1 4600 [0,2,0,0,0,0|2,0,0]=4 1499 B11R1.155 FC1=CC(C(F)(F)F)=CC=C1 4276 [0,2,0,0,0,0|2,0,0]=4 1500 B11R1.155 FC1=CC=CC(C(F)(F)F)=C1 5436 [0,2,0,0,0,0|2,0,0]=4 1501 B11R1.155 NC1=CC=CC(C(F)(F)F)=C1 2798 [0,2,0,0,0,0|2,0,0]=4 1502 B11R1.155 NC1=CC=CC(S(=O)(=O)O)=C1 18118 [0,2,0,0,0,0|2,0,0]=4 1503 B11R1.155 OC1=CC(C(F)(F)F)=CC=C1 5441 [0,2,0,0,0,0|2,0,0]=4 1504 B11R1.53 C#CC1=C(B(O)O)C=CC=C1 33875 [0,2,0,0,0,0|2,0,0]=4 1505 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 19668 [0,2,0,0,0,0|1,0,1]=4 1506 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 19789 [0,2,0,0,0,0|0,0,2]=4 1507 B11R1.53 CC(C)C1=C(C=O)C=CC=C1 27833 [0,2,0,0,0,0|1,0,0]=3 1508 B11R1.53 CCC1=C(B(O)O)C=CC=C1 14050 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 9869 [0,2,0,0,0,0|1,0,1]=4 1510 B11R1.53 COC1=C(B(O)O)C=CC=C1 1865 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.53 COC1=C(C(=O)O)C=CC=C1 18488 [0,2,0,0,0,0|1,0,1]=4 1512 B11R1.53 COC1=C(C(C)=O)C=CC=C1 4278 [0,2,0,0,0,0|0,0,2]=4 1513 B11R1.53 COC1=C(C(C)O)C=CC=C1 25006 [0,2,0,0,0,0|0,0,0]=2 1514 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 24748 [0,2,0,0,0,0|1,0,0]=3 1515 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 24747 [0,2,0,0,0,0|1,0,0]=3 1516 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 10324 [0,2,0,0,0,0|1,0,1]=4 1517 B11R1.53 N#CC1=C(B(O)O)C=CC=C1 1808 [0,2,0,0,0,0|2,0,0]=4 1518 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 12513 [0,2,0,0,0,0|1,0,1]=4 1519 B11R1.53 N#CC1=C(C(F)F)C=CC=C1 30772 [0,2,0,0,0,0|2,0,0]=4 1520 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 6411 [0,2,0,0,0,0|1,0,1]=4 1521 B11R1.53 O=C(O)c1ccccc1CBr 23937 [0,2,0,0,0,0|1,0,1]=4 1522 B11R1.53 O=CC1=C(B(O)O)C=CC=C1 1718 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 7365 [0,2,0,0,0,0|1,0,1]=4 1524 B11R1.53 OB(O)C1=C(CBr)C=CC=C1 7781 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.53 OCC1=C(B(O)O)C=CC=C1 1724 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.53 OCC1=C(B(O)O)C=CC=C1 5079 [0,2,0,0,0,0|2,0,0]=4 1527 B11R1.156 CC(=O)C1=C(Br)C=CC=C1Cl 31211 [0,2,0,0,0,0|0,0,2]=4 1528 B11R1.156 CC(=O)C1=C(Br)C=CC=C1F 31193 [0,2,0,0,0,0|0,0,2]=4 1529 B11R1.156 CC(=O)C1=C(Br)C=CC=C1O 24613 [0,2,0,0,0,0|0,0,2]=4 1530 B11R1.156 CC(=O)C1=C(C)C=CC=C1C 31230 [0,2,0,0,0,0|0,0,2]=4 1531 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1Cl 12362 [0,2,0,0,0,0|0,0,2]=4 1532 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1F 7110 [0,2,0,0,0,0|0,0,2]=4 1533 B11R1.156 CC(=O)C1=C(Cl)C=CC=C1O 31212 [0,2,0,0,0,0|0,0,2]=4 1534 B11R1.156 CC(=O)C1=C(F)C=CC=C1C 31223 [0,2,0,0,0,0|0,0,2]=4 1535 B11R1.156 CC(=O)C1=C(F)C=CC=C1F 4218 [0,2,0,0,0,0|0,0,2]=4 1536 B11R1.156 CC(=O)C1=C(O)C=CC=C1C 31224 [0,2,0,0,0,0|0,0,2]=4 1537 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 3378 [0,2,0,0,0,0|0,0,2]=4 1538 B11R1.156 CC(=O)c1c(O)cccc1F 28251 [0,2,0,0,0,0|0,0,2]=4 1539 B11R1.156 CC(C)C1=C(O)C=CC=C1N 27651 [0,2,0,0,0,0|1,0,0]=3 1540 B11R1.156 CC1=CC=CC(Br)=C1C(=O)O 4715 [0,2,0,0,0,0|1,0,1]=4 1541 B11R1.156 CC1=CC=CC(C)=C1B(O)O 16357 [0,2,0,0,0,0|2,0,0]=4 1542 B11R1.156 CC1=CC=CC(C)=C1C(=O)O 4951 [0,2,0,0,0,0|1,0,1]=4 1543 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)O 4568 [0,2,0,0,0,0|1,0,1]=4 1544 B11R1.156 CC1=CC=CC(F)=C1B(O)O 34153 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.156 CC1=CC=CC(F)=C1C(=O)O 1331 [0,2,0,0,0,0|1,0,1]=4 1546 B11R1.156 CC1=CC=CC(N)=C1C(=O)O 4957 [0,2,0,0,0,0|1,0,1]=4 1547 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 19633 [0,2,0,0,0,0|1,0,1]=4 1548 B11R1.156 NC1=C(C(=O)O)C(Br)=CC=C1 14048 [0,2,0,0,0,0|1,0,1]=4 1549 B11R1.156 NC1=C(C(=O)O)C(Cl)=CC=C1 9876 [0,2,0,0,0,0|1,0,1]=4 1550 B11R1.156 NC1=C(C(=O)O)C(F)=CC=C1 1324 [0,2,0,0,0,0|1,0,1]=4 1551 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br 28611 [0,2,0,0,0,0|1,0,1]=4 1552 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl 4048 [0,2,0,0,0,0|1,0,1]=4 1553 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F 1317 [0,2,0,0,0,0|1,0,1]=4 1554 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O 33425 [0,2,0,0,0,0|1,0,1]=4 1555 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl 20028 [0,2,0,0,0,0|1,0,1]=4 1556 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1F 1372 [0,2,0,0,0,0|1,0,1]=4 1557 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1O 30488 [0,2,0,0,0,0|1,0,1]=4 1558 B11R1.156 O=C(O)C1=C(F)C=CC=C1F 2274 [0,2,0,0,0,0|1,0,1]=4 1559 B11R1.156 O=C(O)C1=C(F)C=CC=C1I 1386 [0,2,0,0,0,0|1,0,1]=4 1560 B11R1.156 O=C(O)C1=C(F)C=CC=C1O 4958 [0,2,0,0,0,0|1,0,1]=4 1561 B11R1.156 O=C(O)C1=C(O)C=CC=C1O 21431 [0,2,0,0,0,0|1,0,1]=4 1562 B11R1.156 OB(O)C1=C(Cl)C=CC=C1Cl 7938 [0,2,0,0,0,0|2,0,0]=4 1563 B11R1.156 OB(O)C1=C(Cl)C=CC=C1F 18883 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.156 OB(O)C1=C(Cl)C=CC=C1O 32633 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.156 OB(O)C1=C(F)C=CC=C1F 1816 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.156 OB(O)C1=C(F)C=CC=C1O 32288 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.159 CC(=O)C1=C(C)C(Br)=CC=C1 31204 [0,2,0,0,0,0|0,0,2]=4 1568 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 19771 [0,2,0,0,0,0|0,0,2]=4 1569 B11R1.159 CC(=O)C1=C(Cl)C(Br)=CC=C1 31198 [0,2,0,0,0,0|0,0,2]=4 1570 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 3368 [0,2,0,0,0,0|0,0,2]=4 1571 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 31183 [0,2,0,0,0,0|0,0,2]=4 1572 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 4095 [0,2,0,0,0,0|0,0,2]=4 1573 B11R1.159 CC(=O)C1=C(F)C(C)=CC=C1 31221 [0,2,0,0,0,0|0,0,2]=4 1574 B11R1.159 CC(=O)C1=C(F)C(Cl)=CC=C1 29140 [0,2,0,0,0,0|0,0,2]=4 1575 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 4211 [0,2,0,0,0,0|0,0,2]=4 1576 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 33429 [0,2,0,0,0,0|0,0,2]=4 1577 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 29253 [0,2,0,0,0,0|0,0,2]=4 1578 B11R1.159 CC(=O)C1=C(N)C(Cl)=CC=C1 29249 [0,2,0,0,0,0|0,0,2]=4 1579 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 34667 [0,2,0,0,0,0|0,0,2]=4 1580 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 35768 [0,2,0,0,0,0|0,0,2]=4 1581 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 29262 [0,2,0,0,0,0|0,0,2]=4 1582 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 31195 [0,2,0,0,0,0|0,0,2]=4 1583 B11R1.159 CC(=O)C1=C(O)C(F)=CC=C1 19786 [0,2,0,0,0,0|0,0,2]=4 1584 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 3281 [0,2,0,0,0,0|0,0,2]=4 1585 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 33767 [0,2,0,0,0,0|0,0,2]=4 1586 B11R1.159 CC(=O)c1cccc(N)c1O 10346 [0,2,0,0,0,0|0,0,2]=4 1587 B11R1.159 CC(C)C1=C(O)C(O)=CC=C1 34649 [0,2,0,0,0,0|1,0,0]=3 1588 B11R1.159 CC(C)C1=CC=CC(Br)=C1O 33834 [0,2,0,0,0,0|1,0,0]=3 1589 B11R1.159 CC(C)C1=CC=CC(Cl)=C1O 28112 [0,2,0,0,0,0|1,0,0]=3 1590 B11R1.159 CC(C)C1=CC=CC(O)=C1F 27792 [0,2,0,0,0,0|1,0,0]=3 1591 B11R1.159 CC1=C(B(O)O)C=CC=C1F 26416 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.159 CC1=C(C(=O)O)C=CC=C1Br 4717 [0,2,0,0,0,0|1,0,1]=4 1593 B11R1.159 CC1=C(C(=O)O)C=CC=C1Cl 8362 [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.159 CC1=C(C(=O)O)C=CC=C1F 1329 [0,2,0,0,0,0|1,0,1]=4 1595 B11R1.159 CC1=C(C(=O)O)C=CC=C1I 22968 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.159 CC1=C(C(=O)O)C=CC=C1N 10921 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.159 CC1=C(C(=O)O)C=CC=C1O 15694 [0,2,0,0,0,0|1,0,1]=4 1598 B11R1.159 CC1=CC=CC(B(O)O)=C1C 5037 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.159 CC1=CC=CC(B(O)O)=C1Cl 32637 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.159 CC1=CC=CC(B(O)O)=C1F 17149 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.159 CC1=CC=CC(B(O)O)=C1O 33842 [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br 3805 [0,2,0,0,0,0|1,0,1]=4 1603 B11R1.159 CC1=CC=CC(C(=O)O)=C1C 2549 [0,2,0,0,0,0|1,0,1]=4 1604 B11R1.159 CC1=CC=CC(C(=O)O)=C1Cl 4566 [0,2,0,0,0,0|1,0,1]=4 1605 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 1328 [0,2,0,0,0,0|1,0,1]=4 1606 B11R1.159 CC1=CC=CC(C(=O)O)=C1I 12741 [0,2,0,0,0,0|1,0,1]=4 1607 B11R1.159 CC1=CC=CC(C(=O)O)=C1N 4950 [0,2,0,0,0,0|1,0,1]=4 1608 B11R1.159 CC1=CC=CC(C(C)C)=C1N 4031 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.159 NC1=C(C(=O)O)C=CC=C1Br 9022 [0,2,0,0,0,0|1,0,1]=4 1610 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 4639 [0,2,0,0,0,0|1,0,1]=4 1611 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 1356 [0,2,0,0,0,0|1,0,1]=4 1612 B11R1.159 NC1=C(C(=O)O)C=CC=C1F 30459 [0,2,0,0,0,0|1,0,1]=4 1613 B11R1.159 NC1=C(C(=O)O)C=CC=C1I 22551 [0,2,0,0,0,0|1,0,1]=4 1614 B11R1.159 NC1=C(O)C=CC=C1C(=O)O 22539 [0,2,0,0,0,0|1,0,1]=4 1615 B11R1.159 NC1=CC=CC(C(=O)O)=C1Cl 10348 [0,2,0,0,0,0|1,0,1]=4 1616 B11R1.159 NC1=CC=CC(C(=O)O)=C1F 2533 [0,2,0,0,0,0|1,0,1]=4 1617 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 3145 [0,2,0,0,0,0|1,0,1]=4 1618 B11R1.159 NC1=CC=CC(C(=O)O)=C1O 14474 [0,2,0,0,0,0|1,0,1]=4 1619 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 28610 [0,2,0,0,0,0|1,0,1]=4 1620 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 27754 [0,2,0,0,0,0|1,0,1]=4 1621 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 33724 [0,2,0,0,0,0|1,0,1]=4 1622 B11R1.159 O=C(O)C1=C(Br)C(F)=CC=C1 1319 [0,2,0,0,0,0|1,0,1]=4 1623 B11R1.159 O=C(O)C1=C(Br)C(I)=CC=C1 30460 [0,2,0,0,0,0|1,0,1]=4 1624 B11R1.159 O=C(O)C1=C(Br)C(O)=CC=C1 27698 [0,2,0,0,0,0|1,0,1]=4 1625 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 26335 [0,2,0,0,0,0|1,0,1]=4 1626 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 8198 [0,2,0,0,0,0|1,0,1]=4 1627 B11R1.159 O=C(O)C1=C(Cl)C(F)=CC=C1 1369 [0,2,0,0,0,0|1,0,1]=4 1628 B11R1.159 O=C(O)C1=C(Cl)C(I)=CC=C1 30702 [0,2,0,0,0,0|1,0,1]=4 1629 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 30633 [0,2,0,0,0,0|1,0,1]=4 1630 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 1318 [0,2,0,0,0,0|1,0,1]=4 1631 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 1332 [0,2,0,0,0,0|1,0,1]=4 1632 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 1379 [0,2,0,0,0,0|1,0,1]=4 1633 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 1383 [0,2,0,0,0,0|1,0,1]=4 1634 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 4959 [0,2,0,0,0,0|1,0,1]=4 1635 B11R1.159 O=C(O)C1=C(I)C(F)=CC=C1 1387 [0,2,0,0,0,0|1,0,1]=4 1636 B11R1.159 O=C(O)C1=C(I)C(O)=CC=C1 28114 [0,2,0,0,0,0|1,0,1]=4 1637 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 28569 [0,2,0,0,0,0|1,0,1]=4 1638 B11R1.159 O=C(O)C1=C(O)C(F)=CC=C1 4960 [0,2,0,0,0,0|1,0,1]=4 1639 B11R1.159 O=C(O)C1=C(O)C(O)=CC=C1 3119 [0,2,0,0,0,0|1,0,1]=4 1640 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 18184 [0,2,0,0,0,0|1,0,1]=4 1641 B11R1.159 OB(O)C1=C(Cl)C(Cl)=CC=C1 1810 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.159 OB(O)C1=C(Cl)C(F)=CC=C1 19756 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.159 OB(O)C1=C(F)C(Cl)=CC=C1 29590 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.159 OB(O)C1=C(F)C(F)=CC=C1 1819 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.159 OB(O)C1=C(F)C(O)=CC=C1 29641 [0,2,0,0,0,0|2,0,0]=4 1646 B11R1.159 OB(O)C1=C(O)C(Br)=CC=C1 29584 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.159 OB(O)C1=C(O)C(Cl)=CC=C1 33843 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.159 OB(O)C1=C(O)C(F)=CC=C1 33466 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 23873 [0,2,0,0,0,0|0,0,2]=4 1650 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 3214 [0,2,0,0,0,0|0,0,2]=4 1651 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 29260 [0,2,0,0,0,0|0,0,2]=4 1652 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 10586 [0,2,0,0,0,0|0,0,2]=4 1653 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 4193 [0,2,0,0,0,0|0,0,2]=4 1654 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 16430 [0,2,0,0,0,0|0,0,2]=4 1655 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 4237 [0,2,0,0,0,0|0,0,2]=4 1656 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 8394 [0,2,0,0,0,0|0,0,2]=4 1657 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 29131 [0,2,0,0,0,0|0,0,2]=4 1658 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 29152 [0,2,0,0,0,0|0,0,2]=4 1659 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 15742 [0,2,0,0,0,0|0,0,2]=4 1660 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 15829 [0,2,0,0,0,0|0,0,2]=4 1661 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 26324 [0,2,0,0,0,0|0,0,2]=4 1662 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 33711 [0,2,0,0,0,0|0,0,2]=4 1663 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 3913 [0,2,0,0,0,0|0,0,2]=4 1664 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 16936 [0,2,0,0,0,0|0,0,2]=4 1665 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 3353 [0,2,0,0,0,0|0,0,2]=4 1666 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 3356 [0,2,0,0,0,0|0,0,2]=4 1667 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 17597 [0,2,0,0,0,0|0,0,2]=4 1668 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 3377 [0,2,0,0,0,0|0,0,2]=4 1669 B11R1.167 CC(C)C1=C(O)C=CC(Br)=C1 34492 [0,2,0,0,0,0|1,0,0]=3 1670 B11R1.167 CC(C)C1=C(O)C=CC(Cl)=C1 27613 [0,2,0,0,0,0|1,0,0]=3 1671 B11R1.167 CC(C)N1C=C(Br)C=CC1=O 34479 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.167 CC(O)C1=C(F)C=CC(Br)=C1 20348 [0,2,0,0,0,0|0,0,0]=2 1673 B11R1.167 CC1=C(B(O)O)C=C(Cl)C=C1 7912 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.167 CC1=C(B(O)O)C=C(F)C=C1 1853 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=C1 4728 [0,2,0,0,0,0|1,0,1]=4 1676 B11R1.167 CC1=C(C(=O)O)C=C(Cl)C=C1 4578 [0,2,0,0,0,0|1,0,1]=4 1677 B11R1.167 CC1=C(C(=O)O)C=C(F)C=C1 1326 [0,2,0,0,0,0|1,0,1]=4 1678 B11R1.167 CC1=C(C(=O)O)C=C(I)C=C1 4520 [0,2,0,0,0,0|1,0,1]=4 1679 B11R1.167 CC1=C(C(=O)O)C=C(N)C=C1 4980 [0,2,0,0,0,0|1,0,1]=4 1680 B11R1.167 CC1=C(C(=O)O)C=C(O)C=C1 25813 [0,2,0,0,0,0|1,0,1]=4 1681 B11R1.167 CC1=C(C(C)C)C=C(Br)C=C1 34618 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.167 CC1=CC(B(O)O)=C(C)C=C1 1831 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.167 CC1=CC(B(O)O)=C(Cl)C=C1 23777 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.167 CC1=CC(B(O)O)=C(F)C=C1 23774 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 32853 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 2166 [0,2,0,0,0,0|1,0,1]=4 1687 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 28638 [0,2,0,0,0,0|1,0,1]=4 1688 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 12501 [0,2,0,0,0,0|1,0,1]=4 1689 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 4750 [0,2,0,0,0,0|1,0,1]=4 1690 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 4975 [0,2,0,0,0,0|1,0,1]=4 1691 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 4954 [0,2,0,0,0,0|1,0,1]=4 1692 B11R1.167 NC1=C(B(O)O)C=C(F)C=C1 1738 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 3719 [0,2,0,0,0,0|1,0,1]=4 1694 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 3575 [0,2,0,0,0,0|1,0,1]=4 1695 B11R1.167 NC1=C(C(=O)O)C=C(F)C=C1 1322 [0,2,0,0,0,0|1,0,1]=4 1696 B11R1.167 NC1=C(C(=O)O)C=C(I)C=C1 2543 [0,2,0,0,0,0|1,0,1]=4 1697 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 15307 [0,2,0,0,0,0|1,0,1]=4 1698 B11R1.167 NC1=CC(B(O)O)=C(F)C=C1 1744 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.167 NC1=CC(C(=O)O)=C(Br)C=C1 4637 [0,2,0,0,0,0|1,0,1]=4 1700 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 4654 [0,2,0,0,0,0|1,0,1]=4 1701 B11R1.167 NC1=CC(C(=O)O)=C(F)C=C1 1325 [0,2,0,0,0,0|1,0,1]=4 1702 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 17623 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 3859 [0,2,0,0,0,0|1,0,1]=4 1704 B11R1.167 O=C(O)C1=C(Br)C=CC(Cl)=C1 3584 [0,2,0,0,0,0|1,0,1]=4 1705 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=C1 1315 [0,2,0,0,0,0|1,0,1]=4 1706 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 3787 [0,2,0,0,0,0|1,0,1]=4 1707 B11R1.167 O=C(O)C1=C(Br)C=CC(O)=C1 30462 [0,2,0,0,0,0|1,0,1]=4 1708 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 3587 [0,2,0,0,0,0|1,0,1]=4 1709 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=C1 3685 [0,2,0,0,0,0|1,0,1]=4 1710 B11R1.167 O=C(O)C1=C(Cl)C=CC(F)=C1 1371 [0,2,0,0,0,0|1,0,1]=4 1711 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 3649 [0,2,0,0,0,0|1,0,1]=4 1712 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=C1 16487 [0,2,0,0,0,0|1,0,1]=4 1713 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=C1 1312 [0,2,0,0,0,0|1,0,1]=4 1714 B11R1.167 O=C(O)C1=C(F)C=CC(Cl)=C1 1375 [0,2,0,0,0,0|1,0,1]=4 1715 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 4935 [0,2,0,0,0,0|1,0,1]=4 1716 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 1385 [0,2,0,0,0,0|1,0,1]=4 1717 B11R1.167 O=C(O)C1=C(F)C=CC(O)=C1 2260 [0,2,0,0,0,0|1,0,1]=4 1718 B11R1.167 O=C(O)C1=C(I)C=CC(Br)=C1 3789 [0,2,0,0,0,0|1,0,1]=4 1719 B11R1.167 O=C(O)C1=C(I)C=CC(Cl)=C1 3818 [0,2,0,0,0,0|1,0,1]=4 1720 B11R1.167 O=C(O)C1=C(I)C=CC(F)=C1 1391 [0,2,0,0,0,0|1,0,1]=4 1721 B11R1.167 O=C(O)C1=C(I)C=CC(I)=C1 3838 [0,2,0,0,0,0|1,0,1]=4 1722 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 1382 [0,2,0,0,0,0|1,0,1]=4 1723 B11R1.167 O=C(O)C1=C(O)C=CC(I)=C1 3889 [0,2,0,0,0,0|1,0,1]=4 1724 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 14414 [0,2,0,0,0,0|1,0,1]=4 1725 B11R1.167 O=C(O)C1=C(S)C=CC(F)=C1 24688 [0,2,0,0,0,0|1,0,1]=4 1726 B11R1.167 OB(O)C1=C(Cl)C=CC(Cl)=C1 1811 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.167 OB(O)C1=C(Cl)C=CC(F)=C1 26554 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.167 OB(O)C1=C(Cl)C=CC(O)=C1 23700 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.167 OB(O)C1=C(F)C=CC(Cl)=C1 11819 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.167 OB(O)C1=C(F)C=CC(F)=C1 1820 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.167 OB(O)C1=C(F)C=CC(O)=C1 32618 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.167 OB(O)C1=C(O)C=CC(Cl)=C1 19653 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.167 OB(O)C1=C(O)C=CC(F)=C1 19871 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.74 CC(=O)C1=CC(Br)=CC(Br)=C1 3388 [0,2,0,0,0,0|0,0,2]=4 1735 B11R1.74 CC(=O)C1=CC(Br)=CC(C)=C1 31218 [0,2,0,0,0,0|0,0,2]=4 1736 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 22227 [0,2,0,0,0,0|0,0,2]=4 1737 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 24402 [0,2,0,0,0,0|0,0,2]=4 1738 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 3389 [0,2,0,0,0,0|0,0,2]=4 1739 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 2179 [0,2,0,0,0,0|0,0,2]=4 1740 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 7457 [0,2,0,0,0,0|0,0,2]=4 1741 B11R1.74 CC(=O)C1=CC(N)=CC(N)=C1 7489 [0,2,0,0,0,0|0,0,2]=4 1742 B11R1.74 CC(=O)C1=CC(O)=CC(O)=C1 3390 [0,2,0,0,0,0|0,0,2]=4 1743 B11R1.74 CC(=O)c1cc(Cl)cc(Br)c1 23803 [0,2,0,0,0,0|0,0,2]=4 1744 B11R1.74 CC(=O)c1cc(F)cc(Cl)c1 28236 [0,2,0,0,0,0|0,0,2]=4 1745 B11R1.74 CC(N)c1cc(F)cc(F)c1 27542 [0,2,0,0,0,0|1,0,0]=3 1746 B11R1.74 CC(O)C1=CC(F)=CC(F)=C1 28822 [0,2,0,0,0,0|0,0,0]=2 1747 B11R1.74 CC1=CC(B(O)O)=CC(Cl)=C1 33851 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 30472 [0,2,0,0,0,0|1,0,1]=4 1749 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 1396 [0,2,0,0,0,0|1,0,1]=4 1750 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 18175 [0,2,0,0,0,0|1,0,1]=4 1751 B11R1.74 CC1=CC(C)=CC(B(O)O)=C1 1833 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 15440 [0,2,0,0,0,0|1,0,1]=4 1753 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 4979 [0,2,0,0,0,0|1,0,1]=4 1754 B11R1.74 CN(C)C1=CC(O)=CC(O)=C1 22947 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.74 Fc1cc(Br)cc(C(F)F)c1 27502 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 30637 [0,2,0,0,0,0|1,0,1]=4 1757 B11R1.74 NC1=CC(C(=O)O)=CC(O)=C1 32194 [0,2,0,0,0,0|1,0,1]=4 1758 B11R1.74 NC1=CC(Cl)=CC(C(=O)O)=C1 10455 [0,2,0,0,0,0|1,0,1]=4 1759 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 28526 [0,2,0,0,0,0|1,0,1]=4 1760 B11R1.74 NC1=CC(N)=CC(B(O)O)=C1 11804 [0,2,0,0,0,0|2,0,0]=4 1761 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 21025 [0,2,0,0,0,0|1,0,1]=4 1762 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 17213 [0,2,0,0,0,0|1,0,1]=4 1763 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 3861 [0,2,0,0,0,0|1,0,1]=4 1764 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 13461 [0,2,0,0,0,0|1,0,1]=4 1765 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 2154 [0,2,0,0,0,0|1,0,1]=4 1766 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 3788 [0,2,0,0,0,0|1,0,1]=4 1767 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 27678 [0,2,0,0,0,0|1,0,1]=4 1768 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 28613 [0,2,0,0,0,0|1,0,1]=4 1769 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 1373 [0,2,0,0,0,0|1,0,1]=4 1770 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 3650 [0,2,0,0,0,0|1,0,1]=4 1771 B11R1.74 O=C(O)C1=CC(Cl)=CC(O)=C1 30474 [0,2,0,0,0,0|1,0,1]=4 1772 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 2173 [0,2,0,0,0,0|1,0,1]=4 1773 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 28646 [0,2,0,0,0,0|1,0,1]=4 1774 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 30475 [0,2,0,0,0,0|1,0,1]=4 1775 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 3839 [0,2,0,0,0,0|1,0,1]=4 1776 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 17219 [0,2,0,0,0,0|1,0,1]=4 1777 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 9162 [0,2,0,0,0,0|1,0,1]=4 1778 B11R1.74 OB(O)C1=CC(Br)=CC(Br)=C1 14108 [0,2,0,0,0,0|2,0,0]=4 1779 B11R1.74 OB(O)C1=CC(Br)=CC(Cl)=C1 29585 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.74 OB(O)C1=CC(Br)=CC(F)=C1 29598 [0,2,0,0,0,0|2,0,0]=4 1781 B11R1.74 OB(O)C1=CC(Cl)=CC(Cl)=C1 1817 [0,2,0,0,0,0|2,0,0]=4 1782 B11R1.74 OB(O)C1=CC(Cl)=CC(F)=C1 6363 [0,2,0,0,0,0|2,0,0]=4 1783 B11R1.74 OB(O)C1=CC(Cl)=CC(O)=C1 33202 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.74 OB(O)C1=CC(F)=CC(F)=C1 1822 [0,2,0,0,0,0|2,0,0]=4 1785 B11R1.74 OB(O)C1=CC(F)=CC(O)=C1 29597 [0,2,0,0,0,0|2,0,0]=4 1786 B11R1.266 C#CC1=CC=CC(B(O)O)=C1 34494 [0,2,0,0,0,0|2,0,0]=4 1787 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 36178 [0,2,0,0,0,0|1,0,1]=4 1788 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 31237 [0,2,0,0,0,0|0,0,2]=4 1789 B11R1.266 CC(=O)C1=CC(CCl)=CC=C1 23456 [0,2,0,0,0,0|0,0,2]=4 1790 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 12649 [0,2,0,0,0,0|0,0,2]=4 1791 B11R1.266 CC(C)C1=CC=CC(C=O)=C1 19606 [0,2,0,0,0,0|1,0,0]=3 1792 B11R1.266 CCC1=CC=CC(B(O)O)=C1 28829 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.266 CCC1=CC=CC(C(C)=O)=C1 3092 [0,2,0,0,0,0|0,0,2]=4 1794 B11R1.266 CN(C)C1=CC=CC(C=O)=C1 15110 [0,2,0,0,0,0|2,0,0]=4 1795 B11R1.266 COC1=CC=CC(B(O)O)=C1 1866 [0,2,0,0,0,0|2,0,0]=4 1796 B11R1.266 COC1=CC=CC(C(=O)O)=C1 9012 [0,2,0,0,0,0|1,0,1]=4 1797 B11R1.266 COC1=CC=CC(C(C)=O)=C1 9201 [0,2,0,0,0,0|0,0,2]=4 1798 B11R1.266 COC1=CC=CC(C(C)C)=N1 12411 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.266 COC1=CC=CC([C@@H](C)O)=C1 15587 [0,2,0,0,0,0|0,0,0]=2 1800 B11R1.266 COC1=CC=CC([C@H](C)N)=C1 24749 [0,2,0,0,0,0|1,0,0]=3 1801 B11R1.266 CSC1=CC=CC(B(O)O)=C1 1789 [0,2,0,0,0,0|2,0,0]=4 1802 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 10679 [0,2,0,0,0,0|1,0,1]=4 1803 B11R1.266 CSC1=CC=CC(C(=O)O)=C1 20970 [0,2,0,0,0,0|1,0,1]=4 1804 B11R1.266 CSc1cccc(B(O)O)c1 7887 [0,2,0,0,0,0|2,0,0]=4 1805 B11R1.266 C[C@H](N)C1=CC=CC(C#N)=C1 23001 [0,2,0,0,0,0|1,0,0]=3 1806 B11R1.266 N#CC1=CC=CC(B(O)O)=C1 1804 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.266 N#CC1=CC=CC(C(=O)O)=C1 25947 [0,2,0,0,0,0|1,0,1]=4 1808 B11R1.266 NCC1=CC=CC(B(O)O)=C1 33881 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.266 NCC1=CC=CC(B(O)O)=C1 5248 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 14415 [0,2,0,0,0,0|1,0,1]=4 1811 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 9744 [0,2,0,0,0,0|1,0,1]=4 1812 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 7446 [0,2,0,0,0,0|1,0,1]=4 1813 B11R1.266 O=CC1=CC=CC(B(O)O)=C1 1719 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.266 O=CC1=CC=CC(C(=O)O)=C1 30672 [0,2,0,0,0,0|1,0,1]=4 1815 B11R1.266 OB(O)C1=CC(CBr)=CC=C1 7782 [0,2,0,0,0,0|2,0,0]=4 1816 B11R1.266 OCC1=CC=CC(B(O)O)=C1 1725 [0,2,0,0,0,0|2,0,0]=4 1817 B9R2.50 C1=CC=C2CCC2=C1 18889 [1,0,0,1,0,0|0,0,0]=2 1818 B11R2.4 CC1CC1C2=CC=CC=C2 3150 [0,0,0,1,0,1|1,0,0]=3 1819 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 32003 [0,0,0,1,0,1|1,0,0]=3 1820 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32001 [0,0,0,1,0,1|1,0,0]=3 1821 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 32002 [0,0,0,1,0,1|1,0,0]=3 1822 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 13460 [0,0,0,1,0,1|1,0,1]=4 1823 B11R2.10 BrC1=CC2=CC=CC=C2C1 9657 [0,0,0,1,0,1|1,0,1]=4 1824 B11R2.10 BrC1=NC2=C(C=CC=C2)O1 33485 [0,0,0,1,0,1|1,0,1]=4 1825 B11R2.10 CC1=CC2=CC=CC=C2C1 5381 [0,0,0,1,0,1|1,0,1]=4 1826 B11R2.10 CC1=CC2=CC=CC=C2N1 7504 [0,0,0,1,0,1|1,0,1]=4 1827 B11R2.10 CC1=NC2=C(C=CC=C2)N1 7540 [0,0,0,1,0,1|1,0,1]=4 1828 B11R2.10 CC1=NC2=C(C=CC=C2)O1 8631 [0,0,0,1,0,1|0,0,1]=3 1829 B11R2.10 CC1=NC2=C(C=CC=C2)S1 10877 [0,0,0,1,0,1|0,1,1]=4 1830 B11R2.10 CC1CC2=CC=CC=C2N1 7439 [0,0,0,1,0,1|1,0,0]=3 1831 B11R2.10 CN1C=C2C=CC=CC2=N1 15667 [0,0,0,1,0,1|2,0,0]=4 1832 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 21885 [0,0,0,1,0,1|1,0,1]=4 1833 B11R2.10 NC1=NC2=C(C=CC=C2)O1 17695 [0,0,0,1,0,1|1,0,1]=4 1834 B11R2.10 NC1CC2=CC=CC=C2C1 12929 [0,0,0,1,0,1|1,0,0]=3 1835 B11R2.10 NN1CC2=CC=CC=C2C1 27745 [0,0,0,1,0,1|2,0,0]=4 1836 B11R2.10 O=C1CC2=C(C=CC=C2)O1 22170 [0,0,0,1,0,1|0,0,2]=4 1837 B11R2.10 O=C1CC2=CC=CC=C2C1 9653 [0,0,0,1,0,1|0,0,2]=4 1838 B11R2.10 O=C1CC2=CC=CC=C2N1 7177 [0,0,0,1,0,1|0,0,2]=4 1839 B11R2.10 O=C1NC2=C(C=CC=C2)O1 8633 [0,0,0,1,0,1|1,0,1]=4 1840 B11R2.10 OC1=NC2=C(C=CC=C2)N1 7606 [0,0,0,1,0,1|1,0,1]=4 1841 B11R2.10 OC1CC2=CC=CC=C2C1 9652 [0,0,0,1,0,1|0,0,0]=2 1842 B11R2.10 SC1=NC2=C(C=CC=C2)O1 8630 [0,0,0,1,0,1|1,0,1]=4 1843 B11R2.238 C1=CC=C(C[C@H]2CN2)C=C1 20894 [0,0,0,1,0,1|1,0,0]=3 1844 B11R2.238 C1=CC=C(SC2CC2)C=C1 10736 [0,0,0,1,0,1|1,0,0]=3 1845 B11R2.34 BrC1=CC=C(C2CC2)N=C1 22082 [0,1,0,1,0,0|2,0,0]=4 1846 B11R2.34 BrC1=CC=C([C@@H]2CO2)C=C1 5705 [0,1,0,1,0,0|0,0,0]=2 1847 B11R2.34 BrC1=CC=C([C@H]2CO2)C=C1 5704 [0,1,0,1,0,0|0,0,0]=2 1848 B11R2.34 BrC1=NC=C(C2CC2)C=C1 27621 [0,1,0,1,0,0|2,0,0]=4 1849 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 18166 [0,1,0,1,0,0|0,0,0]=2 1850 B11R2.34 FC1=CC=C([C@H]2CO2)C=C1 18172 [0,1,0,1,0,0|0,0,0]=2 1851 B11R2.34 NC1=CC=C(C2CC2)C=C1 19700 [0,1,0,1,0,0|1,0,0]=3 1852 B11R2.34 OC1=CC=C(C2CC2)C=C1 17543 [0,1,0,1,0,0|1,0,0]=3 1853 B11R2.1 BrC1=COC2=C1C=CC=C2 28021 [0,1,0,1,0,0|1,0,1]=4 1854 B11R2.1 CC1=CCC2=CC=CC=C12 15081 [0,1,0,1,0,0|1,0,1]=4 1855 B11R2.1 CC1=CNC2=CC=CC=C12 7505 [0,1,0,1,0,0|1,0,1]=4 1856 B11R2.1 CC1=CSC2=C1C=CC=C2 13547 [0,1,0,1,0,0|0,1,1]=4 1857 B11R2.1 CC1=NNC2=CC=CC=C21 7820 [0,1,0,1,0,0|1,0,1]=4 1858 B11R2.1 CC1C=CC2=CC=CC=C21 15080 [0,1,0,1,0,0|1,0,0]=3 1859 B11R2.1 CC1CNC2=CC=CC=C21 15858 [0,1,0,1,0,0|1,0,0]=3 1860 B11R2.1 CN1C=CC2=CC=CC=C21 7436 [0,1,0,1,0,0|2,0,0]=4 1861 B11R2.1 CN1C=NC2=C1C=CC=C2 7613 [0,1,0,1,0,0|2,0,0]=4 1862 B11R2.1 CN1N=NC2=C1C=CC=C2 28190 [0,1,0,1,0,0|2,0,0]=4 1863 B11R2.1 ClC1=NOC2=C1C=CC=C2 8716 [0,1,0,1,0,0|1,0,1]=4 1864 B11R2.1 NC1=NCc2ccccc21 31698 [0,1,0,1,0,0|1,0,1]=4 1865 B11R2.1 NC1=NOC2=C1C=CC=C2 14511 [0,1,0,1,0,0|1,0,1]=4 1866 B11R2.1 NC1CCC2=CC=CC=C21 10981 [0,1,0,1,0,0|1,0,0]=3 1867 B11R2.1 NC1COC2=NC=CC=C21 34572 [0,1,0,1,0,0|2,0,0]=4 1868 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 21741 [0,1,0,1,0,0|1,0,0]=3 1869 B11R2.1 N[C@H]1CCc2ccccc21 12577 [0,1,0,1,0,0|1,0,0]=3 1870 B11R2.1 N[C@H]1CCc2ccccc21 23853 [0,1,0,1,0,0|1,0,0]=3 1871 B11R2.1 O=C1CCC2=CC=CC=C12 5339 [0,1,0,1,0,0|0,0,2]=4 1872 B11R2.1 O=C1COC2=C1C=CC=C2 7023 [0,1,0,1,0,0|0,0,2]=4 1873 B11R2.1 O=C1CSC2=C1C=CC=C2 23797 [0,1,0,1,0,0|0,0,2]=4 1874 B11R2.1 O=C1NCC2=CC=CC=C12 25108 [0,1,0,1,0,0|0,0,2]=4 1875 B11R2.1 O=C1OCC2=CC=CC=C12 22169 [0,1,0,1,0,0|0,0,2]=4 1876 B11R2.1 OC1=CNC2=CC=CC=C12 7264 [0,1,0,1,0,0|0,0,2]=4 1877 B11R2.1 OC1=NOC2=C1C=CC=C2 27626 [0,1,0,1,0,0|1,0,1]=4 1878 B11R2.1 ON1N=NC2=C1C=CC=C2 12739 [0,1,0,1,0,0|2,0,0]=4 1879 B11R2.1 ON1N=NC2=C1C=CC=C2 35769 [0,1,0,1,0,0|2,0,0]=4 1880 B11R2.1 ON1N=NC2=C1C=CC=C2 9767 [0,1,0,1,0,0|2,0,0]=4 1881 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 23000 [0,1,0,1,0,0|2,0,0]=4 1882 B11R2.40 NC1(C2=CC=CC=C2)CC1 13912 [0,1,0,1,0,0|1,0,0]=3 1883 B11R2.40 NC1(C2=CC=CC=C2)CC1 22892 [0,1,0,1,0,0|1,0,0]=3 1884 B11R2.35 BrC1=CC(C2CC2)=CC=C1 22120 [0,1,0,1,0,0|1,0,0]=3 1885 B11R2.35 BrC1=CC(C2CC2)=CN=C1 22078 [0,1,0,1,0,0|2,0,0]=4 1886 B11R2.35 BrC1=NC(C2CC2)=CC=C1 27622 [0,1,0,1,0,0|2,0,0]=4 1887 B11R2.35 ClC1=CC=CC(C2CO2)=C1 32041 [0,1,0,1,0,0|0,0,0]=2 1888 B11R2.35 ClC1=CC=CC([C@@H]2CO2)=C1 5666 [0,1,0,1,0,0|0,0,0]=2 1889 B11R2.35 ClC1=CC=CC([C@H]2CO2)=C1 3901 [0,1,0,1,0,0|0,0,0]=2 1890 B7R1.1 BrCC1=CSC=C1 5295 [1,0,0,0,1,0|2,0,0]=4 1891 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,0,1,0|1,0,0]=3 1892 B7R1.1 CCC1=NC=CN1 15972 [1,0,0,0,1,0|2,0,0]=4 1893 B7R1.1 CCN1C=CC=C1 35829 [1,0,0,0,1,0|1,0,0]=3 1894 B7R1.1 CCN1C=CN=C1 7605 [1,0,0,0,1,0|2,0,0]=4 1895 B7R1.1 COC1=CC=CO1 19998 [1,0,0,0,1,0|2,0,0]=4 1896 B7R1.1 COC1=CC=CS1 12545 [1,0,0,0,1,0|2,0,0]=4 1897 B7R1.1 COC1=CSC=C1 8863 [1,0,0,0,1,0|2,0,0]=4 1898 B7R1.1 NCC1=CC=CO1 6967 [1,0,0,0,1,0|2,0,0]=4 1899 B7R1.1 NCC1=CC=CS1 22278 [1,0,0,0,1,0|2,0,0]=4 1900 B7R1.1 NCC1=CC=CS1 5606 [1,0,0,0,1,0|2,0,0]=4 1901 B7R1.1 NCC1=CSC=C1 12348 [1,0,0,0,1,0|2,0,0]=4 1902 B7R1.1 OCC1=CC=CO1 19996 [1,0,0,0,1,0|1,0,0]=3 1903 B7R1.1 OCC1=CC=CS1 5603 [1,0,0,0,1,0|1,0,0]=3 1904 B7R1.1 OCC1=CC=NO1 24993 [1,0,0,0,1,0|2,0,0]=4 1905 B7R1.1 OCC1=CN=CS1 10259 [1,0,0,0,1,0|2,0,0]=4 1906 B7R1.1 OCC1=CN=CS1 20003 [1,0,0,0,1,0|2,0,0]=4 1907 B7R1.1 OCC1=CNC=N1 9502 [1,0,0,0,1,0|2,0,0]=4 1908 B7R1.1 OCC1=CNN=C1 23620 [1,0,0,0,1,0|2,0,0]=4 1909 B7R1.1 OCC1=COC=C1 6951 [1,0,0,0,1,0|1,0,0]=3 1910 B7R1.1 OCC1=CSC=C1 8860 [1,0,0,0,1,0|1,0,0]=3 1911 B7R1.1 OCC1=NC=CS1 10257 [1,0,0,0,1,0|2,0,0]=4 1912 B7R1.1 OCC1=NNC=C1 14333 [1,0,0,0,1,0|2,0,0]=4 1913 B7R1.1 OCC1=NOC=C1 24952 [1,0,0,0,1,0|2,0,0]=4 1914 B7R1.1 OCN1C=CC=N1 7853 [1,0,0,0,1,0|2,0,0]=4 1915 B7R1.1 OCN1C=CN=C1 8052 [1,0,0,0,1,0|2,0,0]=4 1916 B7R1.1 SCC1=CC=CO1 10566 [1,0,0,0,1,0|1,1,0]=4 1917 B11R1.91 CC(=O)COC1=CC=CC=C1 20265 [0,0,0,0,0,2|0,0,2]=4 1918 B11R1.91 CC(=O)NCC1=CC=CC=C1 19722 [0,0,0,0,0,2|0,0,2]=4 1919 B11R1.91 CC(=O)NNC1=CC=CC=C1 7620 [0,0,0,0,0,2|0,0,2]=4 1920 B11R1.91 CC(C)=NNC1=CC=CC=C1 19806 [0,0,0,0,0,2|1,0,1]=4 1921 B11R1.91 CC(N)CCC1=CC=CC=C1 21082 [0,0,0,0,0,2|1,0,0]=3 1922 B11R1.91 C[C@H](O)COC1=CC=CC=C1 15590 [0,0,0,0,0,2|0,0,0]=2 1923 B11R1.91 O=C(O)C#CC1=CC=CC=C1 13737 [0,0,0,0,0,2|1,0,1]=4 1924 B11R1.91 O=C(O)CCC1=CC=CC=C1 8185 [0,0,0,0,0,2|1,0,1]=4 1925 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 13612 [0,0,0,0,0,2|1,0,1]=4 1926 B11R1.91 OB(O)CCc1ccccc1 14049 [0,0,0,0,0,2|2,0,0]=4 1927 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 33530 [0,0,0,0,0,2|2,0,0]=4