0 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 CCc1ccc(cc1)F LS11765 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.1 CCc1ccc(cn1)Br LS21179 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 COc1ccc(cc1)O LS10474 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 COc1ccc(cc1)S LS11831 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.1 COc1ccc(cn1)Br LS21039 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 COc1ccc(cn1)F LS20238 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 COc1ccc(cn1)N LS20615 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.1 COc1ccc(nc1)Cl LS20524 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.1 Cc1ccc(cc1)C#C LS10578 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.1 Cc1ccc(cc1)CBr LS11264 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.1 Cc1ccc(cc1)CN LS11220 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.1 Cc1ccc(nc1)C#N LS20218 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.1 Cc1ccc(nc1)OC LS20323 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.1 c1cc(ccc1C#N)Br LS11574 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.1 c1cc(ccc1C#N)F LS10440 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.1 c1cc(ccc1C#N)N LS10115 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.1 c1cc(ccc1CBr)Br LS11427 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.1 c1cc(ccc1CBr)F LS10228 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.1 c1cc(ccc1CBr)I LS11269 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.1 c1cc(ccc1CO)I LS11275 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.1 c1cc(ccc1CO)N LS10779 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.1 c1cc(ccc1NN)F LS10358 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.1 c1cc(ncc1Br)C#N LS20014 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.1 c1cc(ncc1Br)C=O LS20518 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.1 c1cc(ncc1Br)CO LS20572 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.1 c1cc(ncc1Br)NN LS20208 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.1 c1cc(ncc1C#N)Br LS20012 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.1 c1cc(ncc1C#N)Cl LS20006 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.1 c1cc(ncc1C=O)Br LS20544 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.1 c1cc(ncc1CO)N LS40930 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.1 c1cc(ncc1Cl)C#N LS20081 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.1 c1cc(ncc1F)C#N LS20040 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.2 C#Cc1ccccc1 LS10701 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 CNc1cccnc1 LS20470 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 c1cc(cnc1)C=O LS20485 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,0|0,0,2]=3 43 B8R1.2 c1ccc(cc1)CO LS41488 [1,0,0,0,0,0|0,0,0]=1 44 B8R1.2 c1cnc(cn1)CN LS20127 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 c1cnc(cn1)CN LS20128 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,0|1,0,2]=4 47 B8R1.2 c1cnccc1CN LS20857 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 c1cnccc1NN LS20045 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [1,0,0,0,0,0|0,0,2]=3 50 B8R1.3 Cc1ccc(cc1)Cl LS11416 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.3 Cc1ccc(cn1)Br LS20399 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.3 Cc1ccc(nc1)Br LS20538 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.3 Cc1ccc(nc1)Cl LS20543 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.3 Cc1ccc(nn1)Cl LS21118 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.3 Cc1cnc(cn1)N LS20063 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.3 c1c(cnc(n1)O)Br LS21235 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.3 c1cc(ccc1Br)I LS11203 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.3 c1cc(ccc1F)F LS11211 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.3 c1cc(ccc1N)Br LS11446 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ccc1N)I LS11481 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.3 c1cc(ccc1O)Br LS11445 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.3 c1cc(ccc1O)F LS10647 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.3 c1cc(ccc1O)I LS10366 [1,0,0,0,0,0|1,0,0]=2 65 B8R1.3 c1cc(ncc1Br)Br LS21029 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.3 c1cc(ncc1Br)Cl LS20547 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.3 c1cc(ncc1Br)F LS20408 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.3 c1cc(ncc1Br)I LS20184 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.3 c1cc(ncc1Cl)Br LS20546 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.3 c1cc(ncc1Cl)Cl LS20534 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.3 c1cc(ncc1Cl)F LS20537 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.3 c1cc(ncc1F)Br LS20585 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.3 c1cc(ncc1F)F LS20951 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.3 c1cc(ncc1F)N LS20484 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.3 c1cc(ncc1F)O LS20722 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.3 c1cc(ncc1I)Cl LS20455 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.3 c1cc(ncc1I)F LS20342 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.3 c1cc(ncc1I)N LS20442 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.3 c1cc(ncc1N)Cl LS20443 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.3 c1cc(ncc1N)F LS20550 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.3 c1cc(ncc1N)O LS20334 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.3 c1cc(ncc1O)F LS20343 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.3 c1cc(ncc1O)N LS20718 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.1 CCOc1ccc(cn1)Br LS20352 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.1 Cc1ccc(cc1)CCO LS11239 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.1 c1cc(ccc1CCO)Br LS11249 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.1 c1cc(ccc1CCO)F LS11241 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.1 c1cc(ncc1CC#N)Cl LS20444 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,1,0,0,0,0|1,1,0]=3 106 B10R1.13 B(c1ccc(nc1)Br)(O)O LS11091 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 B(c1ccc(nc1)Cl)(O)O LS11095 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 B(c1ccc(nc1)F)(O)O LS20294 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 B(c1ccc(nc1)N)(O)O LS21229 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,0,0|1,0,2]=4 112 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,0,0|1,0,2]=4 114 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,0,0|0,0,2]=3 115 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.25 COc1ccc(cc1F)N LS10107 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 COc1ccc(cc1F)O LS10467 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.25 COc1ccc(cc1I)N LS10132 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,1,0,0,0,0|0,0,2]=3 136 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,1,0,0,0,0|1,0,2]=4 149 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,1,0,0,0,0|0,0,2]=3 154 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.176 COc1ccc(c(c1)I)N LS10038 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.176 COc1ccc(c(c1)N)F LS10016 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [0,1,0,0,0,0|1,0,2]=4 162 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.176 c1cc(c(cc1C#N)Cl)Br LS10143 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.176 c1cc(c(cc1C#N)F)Br LS10276 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.176 c1cc(c(cc1C#N)N)N LS10415 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [0,1,0,0,0,0|0,0,2]=3 168 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [0,1,0,0,0,0|1,0,2]=4 169 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [0,1,0,0,0,0|0,0,2]=3 170 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [0,1,0,0,0,0|0,0,2]=3 171 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [0,1,0,0,0,0|1,0,2]=4 172 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [0,1,0,0,0,0|0,0,2]=3 174 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,0,0,0,1,0|1,0,2]=4 176 B8R1.1 c1cc(sc1CCl)Cl LS20823 [0,0,0,0,1,0|3,0,0]=4 177 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 181 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|0,0,2]=4 192 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.2 Cc1cccc(c1)CN LS11219 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.2 Cc1cccc(n1)CO LS20207 [1,1,0,0,0,0|1,0,0]=3 196 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,1,0,0,0,0|1,0,0]=3 197 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,1,0,0,0,0|0,0,0]=2 198 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|0,0,2]=4 199 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,1,0,0,0,0|1,0,0]=3 200 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|0,0,2]=4 201 B9R1.2 c1cnc(cc1CO)N LS21015 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.6 B(c1cccnc1)(O)O LS20190 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.6 B(c1ccncc1)(O)O LS20393 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,1,0,0,0,0|0,0,1]=3 209 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,1,0,0,0,0|0,1,1]=4 210 B9R1.8 CNNc1ccccc1 LS10173 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.8 c1ccc(cc1)CCN LS10634 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.8 c1ccc(cc1)CCN LS10635 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.8 c1ccc(cc1)CNO LS11836 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.8 c1ccc(cc1)CNO LS40338 [1,1,0,0,0,0|0,0,0]=2 216 B9R1.8 c1ccc(cc1)CON LS40003 [1,1,0,0,0,0|0,0,0]=2 217 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.8 c1cnccc1CCN LS21103 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.15 C=Cc1ccccc1Br LS11653 [1,1,0,0,0,0|1,0,1]=4 221 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.15 C=Cc1ccccc1F LS11647 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.15 CNc1ccccc1Br LS11478 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.15 CNc1ccccc1F LS10646 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.15 CSc1ccccc1Br LS11369 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.15 Cc1ccccc1C#C LS11393 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.15 Cc1ccccc1C=O LS11852 [1,1,0,0,0,0|0,0,2]=4 228 B9R1.15 Cc1ccccc1CBr LS11262 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.15 Cc1ccccc1CN LS11218 [1,1,0,0,0,0|1,0,0]=3 230 B9R1.15 Cc1ccccc1CO LS11274 [1,1,0,0,0,0|0,0,0]=2 231 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.15 c1cc(c(nc1)N)CO LS41435 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,1,0,0,0,0|0,0,2]=4 237 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,1,0,0,0,0|0,0,0]=2 241 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,1,0,0,0,0|0,0,0]=2 242 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,1,0,0,0,0|0,0,0]=2 243 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.69 Cc1cc(c(nc1)Br)Br LS20386 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.69 Cc1cc(c(nc1)Cl)F LS20093 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.69 Cc1cc(c(nc1)F)I LS20636 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.69 Cc1cc(ccc1Br)F LS10433 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.69 Cc1cc(ccc1Br)O LS10569 [1,1,0,0,0,0|1,0,0]=3 258 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.69 Cc1cc(ccc1F)N LS10454 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.69 Cc1cc(ccc1O)Br LS10229 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [1,1,0,0,0,0|1,0,0]=3 262 B9R1.69 Cc1cc(cnc1F)O LS20344 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.69 Cc1cc(cnc1O)Br LS20335 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [1,1,0,0,0,0|0,0,0]=2 266 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.69 Cc1ccc(cc1Br)F LS10434 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.69 Cc1ccc(cc1F)N LS10457 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.69 Cc1ccc(cc1N)Br LS10331 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.69 Cc1ccc(cc1N)F LS10455 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.69 Cc1cnc(cc1I)F LS20495 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.69 c1c(cnc(c1Br)O)F LS20211 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [1,1,0,0,0,0|2,0,0]=4 304 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [1,1,0,0,0,0|1,0,0]=3 306 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [1,1,0,0,0,0|1,1,0]=4 315 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.69 c1cc(c(cc1F)N)O LS10399 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.69 c1cc(c(cc1I)F)N LS10451 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.69 c1cc(c(cc1N)F)I LS10449 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [1,1,0,0,0,0|0,0,0]=2 330 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.69 c1cc(c(cc1O)F)N LS00146 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.69 c1cc(c(cc1O)F)O LS00052 [1,1,0,0,0,0|0,0,0]=2 334 B9R1.69 c1cc(c(cc1O)N)F LS10007 [1,1,0,0,0,0|1,0,0]=3 335 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [1,1,0,0,0,0|1,1,0]=4 337 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.1 CNCCc1ccc(cc1)O LS10122 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.1 c1cc(ccc1OCCBr)Cl LS10083 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,2,0,0,0,0|0,0,1]=3 345 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,2,0,0,0,0|0,0,0]=2 347 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,2,0,0,0,0|0,0,0]=2 349 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [0,2,0,0,0,0|1,0,0]=3 353 B11R1.81 c1cc(c(cc1Cl)F)CC#N LS10623 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.192 CCOc1ccc(c(c1)Cl)Br LS11311 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.192 c1cc(c(cc1CCN)Cl)Cl LS11236 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.192 c1cc(c(cc1CCO)Cl)Cl LS11246 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.192 c1cc(c(cc1CCO)Cl)F LS11250 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.3 B(c1ccc(cc1)C#N)(O)O LS00153 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,2,0,0,0,0|0,0,2]=4 360 B11R1.3 B(c1ccc(cc1)CBr)(O)O LS10869 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [0,2,0,0,0,0|1,0,0]=3 362 B11R1.3 B(c1ccc(cc1)CO)(O)O LS10891 [0,2,0,0,0,0|0,0,0]=2 363 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.3 B(c1ccc(cc1)SC)(O)O LS10900 [0,2,0,0,0,0|1,1,0]=4 365 B11R1.3 B(c1ccc(nc1)OC)(O)O LS11100 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,2,0,0,0,0|1,0,1]=4 367 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,2,0,0,0,0|0,0,1]=3 369 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,2,0,0,0,0|1,0,0]=3 370 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,2,0,0,0,0|0,0,2]=4 372 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [0,2,0,0,0,0|0,0,1]=3 374 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [0,2,0,0,0,0|0,0,2]=4 375 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [0,2,0,0,0,0|0,0,2]=4 376 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,2,0,0,0,0|1,0,1]=4 380 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,2,0,0,0,0|0,0,2]=4 381 B11R1.19 CC(C)(C)c1ccc(cc1)Br LS11196 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30073 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30074 [0,2,0,0,0,0|2,0,0]=4 385 B11R1.19 c1cc(ccc1C(F)(F)F)N LS10568 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.19 c1cc(ccc1C(F)(F)F)O LS10322 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.19 c1cc(ccc1O)S(=O)(=O)O LS10671 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40551 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40552 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl LS10688 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.19 c1cc(ncc1C(F)(F)F)O LS20005 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O LS10944 [0,2,0,0,0,0|2,0,0]=4 396 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O LS11001 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O LS11032 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.21 B(c1ccc(c(c1)F)F)(O)O LS10945 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.21 B(c1ccc(c(c1)N)F)(O)O LS10989 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O LS10929 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.166 B(c1ccc(cc1Cl)F)(O)O LS10970 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.166 B(c1ccc(cc1F)Br)(O)O LS11028 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.166 B(c1ccc(cc1F)Cl)(O)O LS10243 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.166 B(c1ccc(cc1F)F)(O)O LS10930 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,2,0,0,0,0|1,0,1]=4 422 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,2,0,0,0,0|1,0,1]=4 424 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,2,0,0,0,0|1,0,1]=4 426 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,2,0,0,0,0|1,0,1]=4 427 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,2,0,0,0,0|1,0,1]=4 430 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,2,0,0,0,0|0,0,1]=3 432 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,2,0,0,0,0|1,0,1]=4 433 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,2,0,0,0,0|0,0,2]=4 435 B11R1.37 c1cc(c(cc1O)C#N)C#N LS10062 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.277 Cc1cc(c(cc1O)C)C=O LS10195 [0,2,0,0,0,0|0,0,2]=4 437 B11R1.464 Cc1cc(cc(c1C#N)C)O LS11717 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.464 Cc1cc(cc(c1C=O)C)O LS10368 [0,2,0,0,0,0|0,0,2]=4 439 B11R1.464 c1c(cc(c(c1F)CO)F)Br LS11307 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.14 c1c(cc(c(c1F)O)F)C#N LS11499 [0,2,0,0,0,0|1,0,1]=4 441 B11R1.14 c1c(cc(c(c1O)O)O)C=O LS10215 [0,2,0,0,0,0|0,0,2]=4 442 B11R1.14 c1c(cc(c(c1O)O)O)C=O LS10699 [0,2,0,0,0,0|0,0,2]=4 443 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.3 Cc1c(cccc1O)O LS10121 [0,0,1,1,0,0|0,0,2]=4 446 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [0,0,1,1,0,0|1,0,1]=4 447 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [0,0,1,1,0,0|1,0,1]=4 448 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [0,0,1,1,0,0|1,0,1]=4 449 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,1,0,1,0,0|1,0,1]=4 450 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,1,0,1,0,0|0,1,1]=4 451 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [0,1,0,1,0,0|2,0,0]=4 452 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [0,1,0,1,0,0|2,0,0]=4 453 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [0,1,0,1,0,0|2,0,0]=4 454 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [0,1,0,1,0,0|2,0,0]=4 455 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [0,1,0,1,0,0|2,0,0]=4 456 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [0,1,0,1,0,0|2,0,0]=4 457 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [0,1,0,1,0,0|2,0,0]=4 458 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.1 c1c(nc[nH]1)CO LS20464 [1,0,0,0,1,0|2,0,0]=4 460 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,1,0|1,0,0]=3 461 B7R1.1 c1cn(cn1)CO LS20270 [1,0,0,0,1,0|2,0,0]=4 462 B7R1.2 Cc1cc(cs1)Br LS20656 [1,0,0,0,1,0|2,0,0]=4 463 B7R1.2 Cc1ccc(s1)Br LS20655 [1,0,0,0,1,0|2,0,0]=4 464 B7R1.2 Cc1ccc(s1)C LS20641 [1,0,0,0,1,0|2,0,0]=4 465 B7R1.2 Cc1ccc(s1)Cl LS20653 [1,0,0,0,1,0|2,0,0]=4