0 B7R1.3 c1cc(cnc1)Br AS03469 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 c1cc(cnc1)Cl AS02841 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 c1cc(cnc1)F AS06189 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 c1ccc(cc1)I AS02214 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 c1ccc(cc1)I AS04509 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 c1ccc(cc1)S AS04135 [0,0,0,0,0,0|0,1,0]=1 6 B7R1.3 c1ccnc(c1)Cl AS06184 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 c1ccnc(c1)F AS04826 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 c1cnccc1F AS04868 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 COc1ccccc1 AS04310 [0,1,0,0,0,0|0,0,0]=1 10 B8R1.2 COc1ccccc1 AS06877 [0,1,0,0,0,0|0,0,0]=1 11 B8R1.2 COc1ccccn1 AS01009 [0,1,0,0,0,0|1,0,0]=2 12 B8R1.2 COc1cccnc1 AS01010 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.2 COc1ccncc1 AS04953 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 CSc1ccccc1 AS04279 [0,1,0,0,0,0|0,1,0]=2 15 B8R1.2 c1ccc(cc1)C#N AS02370 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.2 c1ccc(cc1)CBr AS02048 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.2 c1ccc(cc1)CO AS04466 [0,1,0,0,0,0|0,0,0]=1 18 B8R1.2 c1ccc(cc1)N=O AS01444 [0,1,0,0,0,0|0,0,1]=2 19 B8R1.3 Cc1ccc(cc1)C AS00254 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.3 Cc1ccc(cc1)F AS00305 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.3 Cc1ccc(cc1)I AS02294 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.3 Cc1ccc(cc1)N AS06931 [0,1,0,0,0,0|1,0,0]=2 23 B8R1.3 Cc1ccc(cn1)F AS04876 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.3 Cc1ccc(nc1)Br AS04906 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.3 Cc1ccc(nc1)F AS04850 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.3 c1cc(ccc1Br)Br AS05688 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.3 c1cc(ccc1Br)I AS03362 [0,1,0,0,0,0|1,0,0]=2 28 B8R1.3 c1cc(ccc1Cl)Br AS06959 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.3 c1cc(ccc1Cl)Cl AS06944 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.3 c1cc(ccc1Cl)I AS03063 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.3 c1cc(ccc1F)Br AS00255 [0,1,0,0,0,0|1,0,0]=2 32 B8R1.3 c1cc(ccc1F)Cl AS02729 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.3 c1cc(ccc1F)F AS00245 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.3 c1cc(ccc1F)I AS02180 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.3 c1cc(ccc1F)S AS04129 [0,1,0,0,0,0|0,1,0]=2 36 B8R1.3 c1cc(ccc1I)I AS00081 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.3 c1cc(ccc1N)Br AS00914 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.3 c1cc(ccc1N)Cl AS02971 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.3 c1cc(ccc1N)Cl AS06958 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.3 c1cc(ccc1N)F AS00828 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.3 c1cc(ccc1N)F AS01509 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.3 c1cc(ccc1N)I AS00432 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.3 c1cc(ccc1N)N AS00466 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.3 c1cc(ccc1N)O AS04549 [0,1,0,0,0,0|0,0,0]=1 45 B8R1.3 c1cc(ccc1N)S AS04134 [0,1,0,0,0,0|0,1,0]=2 46 B8R1.3 c1cc(ccc1O)Cl AS00215 [0,1,0,0,0,0|0,0,0]=1 47 B8R1.3 c1cc(ccc1O)F AS00216 [0,1,0,0,0,0|0,0,0]=1 48 B8R1.3 c1cc(ccc1O)O AS00174 [0,1,0,0,0,0|0,0,0]=1 49 B8R1.3 c1cc(ccc1S)Cl AS04130 [0,1,0,0,0,0|0,1,0]=2 50 B8R1.3 c1cc(ncc1Br)Cl AS04922 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 c1cc(ncc1Br)F AS04801 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 c1cc(ncc1Br)I AS04928 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.3 c1cc(ncc1Br)N AS04888 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.3 c1cc(ncc1Cl)F AS04821 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 c1cc(ncc1Cl)N AS04770 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.3 c1cc(ncc1Cl)O AS04939 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.3 c1cc(ncc1F)Br AS04782 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.3 c1cc(ncc1F)F AS04727 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 c1cc(ncc1F)N AS04771 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ncc1F)O AS04872 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.3 c1cc(ncc1I)F AS04841 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.3 c1cc(ncc1I)N AS02984 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.3 c1cc(ncc1N)Cl AS04902 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.3 c1cc(ncc1N)F AS04778 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.3 c1cc(ncc1N)N AS04945 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.3 c1cc(ncc1O)F AS04834 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.4 Cc1cc(cnc1)Br AS04920 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 Cc1cccc(c1)Br AS03472 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.4 Cc1cccc(c1)Cl AS02842 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.4 Cc1cccc(c1)F AS06924 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.4 Cc1cccc(c1)I AS02293 [0,1,0,0,0,0|1,0,0]=2 73 B8R1.4 Cc1cccc(c1)N AS06930 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 Cc1cccc(c1)S AS00077 [0,1,0,0,0,0|0,1,0]=2 75 B8R1.4 Cc1cccc(n1)Br AS04907 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 Cc1cccc(n1)C AS04947 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 Cc1cccc(n1)F AS04851 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.4 Cc1ccnc(c1)Br AS04905 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.4 Cc1ccnc(c1)Cl AS04706 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.4 Cc1ccnc(c1)F AS04730 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.4 c1c(cncc1Br)Cl AS04916 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 c1c(cncc1Br)F AS04794 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.4 c1c(cncc1Cl)F AS04819 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.4 c1c(cncc1F)F AS04885 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 c1cc(c[n+](c1)[O-])F AS04863 [0,1,0,0,0,0|1,0,1]=3 86 B8R1.4 c1cc(cc(c1)Br)Br AS03513 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.4 c1cc(cc(c1)Br)Cl AS03127 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.4 c1cc(cc(c1)Br)F AS03288 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.4 c1cc(cc(c1)Br)N AS00407 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.4 c1cc(cc(c1)Br)O AS00214 [0,1,0,0,0,0|0,0,0]=1 91 B8R1.4 c1cc(cc(c1)Cl)Cl AS00251 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.4 c1cc(cc(c1)Cl)F AS00258 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.4 c1cc(cc(c1)Cl)O AS02833 [0,1,0,0,0,0|0,0,0]=1 95 B8R1.4 c1cc(cc(c1)F)F AS00253 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.4 c1cc(cc(c1)F)N AS00826 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.4 c1cc(cc(c1)F)N AS06739 [0,1,0,0,0,0|1,0,0]=2 98 B8R1.4 c1cc(cc(c1)F)O AS00206 [0,1,0,0,0,0|0,0,0]=1 99 B8R1.4 c1cc(cc(c1)F)O AS00892 [0,1,0,0,0,0|0,0,0]=1 100 B8R1.4 c1cc(cc(c1)I)Br AS03361 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.4 c1cc(cc(c1)I)Cl AS03062 [0,1,0,0,0,0|1,0,0]=2 102 B8R1.4 c1cc(cc(c1)I)F AS02179 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.4 c1cc(cc(c1)I)I AS02130 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.4 c1cc(cc(c1)I)N AS00421 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.4 c1cc(cc(c1)I)O AS02284 [0,1,0,0,0,0|0,0,0]=1 106 B8R1.4 c1cc(cc(c1)N)N AS06865 [0,1,0,0,0,0|1,0,0]=2 107 B8R1.4 c1cc(cc(c1)O)N AS00213 [0,1,0,0,0,0|0,0,0]=1 108 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 c1cc(nc(c1)Br)F AS04787 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.4 c1cc(nc(c1)Br)O AS04913 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.4 c1cc(nc(c1)F)F AS04884 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.4 c1cnc(cc1Br)F AS04796 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.4 c1cnc(cc1F)Br AS04781 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.4 c1cnc(cc1I)Cl AS04707 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 c1cnc(cc1N)F AS04716 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.5 Cc1c(cccn1)Br AS04917 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 Cc1c(cccn1)N AS04896 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 Cc1ccccc1Br AS03471 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.5 Cc1ccccc1F AS00300 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.5 Cc1ccccc1I AS02292 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.5 Cc1ccccc1N AS01510 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.5 Cc1ccccc1O AS00217 [0,1,0,0,0,0|0,0,0]=1 124 B8R1.5 Cc1cccnc1Cl AS06186 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.5 Cc1cccnc1F AS04849 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.5 Cc1ccncc1F AS04731 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.5 Cc1cnccc1F AS04869 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.5 c1cc(c(nc1)Br)F AS04780 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.5 c1cc(c(nc1)Br)N AS04696 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.5 c1cc(c(nc1)F)Br AS04791 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.5 c1cc(c(nc1)F)F AS04883 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.5 c1cc(c(nc1)F)I AS04835 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.5 c1cc(c(nc1)F)N AS04774 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.5 c1cc(c(nc1)F)O AS04833 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.5 c1cc(c(nc1)I)F AS04864 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.5 c1cc(c(nc1)O)Br AS04918 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.5 c1ccc(c(c1)Br)Br AS03512 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.5 c1ccc(c(c1)Br)I AS03360 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.5 c1ccc(c(c1)Cl)Br AS03126 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.5 c1ccc(c(c1)Cl)Cl AS00250 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.5 c1ccc(c(c1)Cl)I AS03061 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.5 c1ccc(c(c1)F)Br AS03287 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.5 c1ccc(c(c1)F)F AS00252 [0,1,0,0,0,0|1,0,0]=2 149 B8R1.5 c1ccc(c(c1)F)I AS02178 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.5 c1ccc(c(c1)F)S AS04132 [0,1,0,0,0,0|0,1,0]=2 151 B8R1.5 c1ccc(c(c1)I)I AS02129 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.5 c1ccc(c(c1)N)Br AS00913 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.5 c1ccc(c(c1)N)F AS00827 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.5 c1ccc(c(c1)N)F AS01506 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.5 c1ccc(c(c1)N)I AS00404 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.5 c1ccc(c(c1)N)O AS00211 [0,1,0,0,0,0|0,0,0]=1 157 B8R1.5 c1ccc(c(c1)O)Br AS03449 [0,1,0,0,0,0|0,0,0]=1 158 B8R1.5 c1ccc(c(c1)O)F AS00891 [0,1,0,0,0,0|0,0,0]=1 159 B8R1.5 c1ccc(c(c1)O)I AS02283 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [0,1,0,0,0,0|0,1,0]=2 161 B8R1.5 c1cncc(c1Br)F AS04797 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.5 c1cncc(c1Cl)Br AS04702 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.5 c1cncc(c1Cl)F AS04820 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.5 c1cncc(c1I)Cl AS04936 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.5 c1cncc(c1I)F AS04865 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.5 c1cncc(c1N)F AS04775 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.72 C1=CC(NC=C1)(N)Br AS06179 [0,1,0,0,0,0|2,0,1]=4 168 B7R1.1 c1cc([nH]c1)C=O AS06197 [0,1,0,0,1,0|1,0,1]=4 169 B7R1.4 Cc1cscc1Br AS06573 [0,1,0,0,1,0|2,0,0]=4 170 B7R1.4 c1c(c(cs1)Br)Br AS06574 [0,1,0,0,1,0|2,0,0]=4 171 B7R1.4 c1csc(c1Br)Cl AS06591 [0,1,0,0,1,0|2,0,0]=4 172 B9R1.1 C#Cc1ccc(cc1)F AS00454 [0,2,0,0,0,0|1,0,0]=3 173 B9R1.1 C#Cc1ccc(cc1)N AS04615 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [0,2,0,0,0,0|1,0,0]=3 175 B9R1.1 C=Cc1ccc(cc1)F AS03795 [0,2,0,0,0,0|1,0,0]=3 176 B9R1.1 CCc1ccc(cc1)Br AS03254 [0,2,0,0,0,0|1,0,0]=3 177 B9R1.1 CCc1ccc(cc1)F AS04424 [0,2,0,0,0,0|1,0,0]=3 178 B9R1.1 CCc1ccc(cc1)I AS02159 [0,2,0,0,0,0|1,0,0]=3 179 B9R1.1 CNc1ccc(cc1)I AS05390 [0,2,0,0,0,0|1,0,0]=3 180 B9R1.1 COc1ccc(cc1)Br AS02358 [0,2,0,0,0,0|0,0,0]=2 181 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,2,0,0,0,0|0,0,0]=2 182 B9R1.1 COc1ccc(cc1)F AS02586 [0,2,0,0,0,0|0,0,0]=2 183 B9R1.1 COc1ccc(cc1)I AS02208 [0,2,0,0,0,0|0,0,0]=2 184 B9R1.1 COc1ccc(cc1)O AS04576 [0,2,0,0,0,0|0,0,0]=2 185 B9R1.1 COc1ccc(cn1)Br AS03404 [0,2,0,0,0,0|1,0,0]=3 186 B9R1.1 COc1ccc(cn1)F AS04877 [0,2,0,0,0,0|1,0,0]=3 187 B9R1.1 COc1ccc(nc1)Br AS04912 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,2,0,0,0,0|0,1,0]=3 189 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,2,0,0,0,0|0,1,0]=3 190 B9R1.1 CSc1ccc(cc1)F AS04286 [0,2,0,0,0,0|0,1,0]=3 191 B9R1.1 CSc1ccc(cc1)N AS04283 [0,2,0,0,0,0|0,1,0]=3 192 B9R1.1 Cc1ccc(cc1)C#N AS03761 [0,2,0,0,0,0|1,0,0]=3 193 B9R1.1 Cc1ccc(cc1)C=O AS02824 [0,2,0,0,0,0|0,0,1]=3 194 B9R1.1 Cc1ccc(cc1)CCl AS00637 [0,2,0,0,0,0|1,0,0]=3 195 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,2,0,0,0,0|0,1,0]=3 196 B9R1.1 Cc1ccc(nc1)C#N AS04709 [0,2,0,0,0,0|2,0,0]=4 197 B9R1.1 c1cc(ccc1C#N)Br AS03698 [0,2,0,0,0,0|1,0,0]=3 198 B9R1.1 c1cc(ccc1C#N)Cl AS02369 [0,2,0,0,0,0|1,0,0]=3 199 B9R1.1 c1cc(ccc1C#N)F AS03736 [0,2,0,0,0,0|1,0,0]=3 200 B9R1.1 c1cc(ccc1C#N)I AS03752 [0,2,0,0,0,0|1,0,0]=3 201 B9R1.1 c1cc(ccc1C#N)N AS02646 [0,2,0,0,0,0|1,0,0]=3 202 B9R1.1 c1cc(ccc1C#N)O AS02647 [0,2,0,0,0,0|0,0,0]=2 203 B9R1.1 c1cc(ccc1C=O)Br AS02893 [0,2,0,0,0,0|0,0,1]=3 204 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [0,2,0,0,0,0|0,0,1]=3 205 B9R1.1 c1cc(ccc1C=O)F AS02846 [0,2,0,0,0,0|0,0,1]=3 206 B9R1.1 c1cc(ccc1C=O)F AS03001 [0,2,0,0,0,0|0,0,1]=3 207 B9R1.1 c1cc(ccc1C=O)I AS03916 [0,2,0,0,0,0|0,0,1]=3 208 B9R1.1 c1cc(ccc1C=O)N AS06990 [0,2,0,0,0,0|0,0,1]=3 209 B9R1.1 c1cc(ccc1C=O)O AS02994 [0,2,0,0,0,0|0,0,0]=2 210 B9R1.1 c1cc(ccc1CBr)Br AS02044 [0,2,0,0,0,0|1,0,0]=3 211 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [0,2,0,0,0,0|1,0,0]=3 212 B9R1.1 c1cc(ccc1CBr)F AS00664 [0,2,0,0,0,0|1,0,0]=3 213 B9R1.1 c1cc(ccc1CBr)I AS00645 [0,2,0,0,0,0|1,0,0]=3 214 B9R1.1 c1cc(ccc1CCl)Br AS00646 [0,2,0,0,0,0|1,0,0]=3 215 B9R1.1 c1cc(ccc1CCl)F AS00660 [0,2,0,0,0,0|1,0,0]=3 216 B9R1.1 c1cc(ccc1CCl)F AS02054 [0,2,0,0,0,0|1,0,0]=3 217 B9R1.1 c1cc(ccc1CN)Br AS02268 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.1 c1cc(ccc1CN)Br AS03103 [0,2,0,0,0,0|1,0,0]=3 219 B9R1.1 c1cc(ccc1CN)Br AS06970 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.1 c1cc(ccc1CN)Cl AS00379 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.1 c1cc(ccc1CN)Cl AS02689 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.1 c1cc(ccc1CN)F AS00834 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.1 c1cc(ccc1CN)F AS01938 [0,2,0,0,0,0|1,0,0]=3 224 B9R1.1 c1cc(ccc1CN)I AS02223 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.1 c1cc(ccc1CN)I AS02301 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 c1cc(ccc1CO)Br AS03954 [0,2,0,0,0,0|0,0,0]=2 227 B9R1.1 c1cc(ccc1CO)Cl AS03965 [0,2,0,0,0,0|0,0,0]=2 228 B9R1.1 c1cc(ccc1CO)F AS03978 [0,2,0,0,0,0|0,0,0]=2 229 B9R1.1 c1cc(ccc1CO)I AS00604 [0,2,0,0,0,0|0,0,0]=2 230 B9R1.1 c1cc(ccc1CO)I AS03987 [0,2,0,0,0,0|0,0,0]=2 231 B9R1.1 c1cc(ccc1CO)N AS00548 [0,2,0,0,0,0|0,0,0]=2 232 B9R1.1 c1cc(ccc1CO)O AS00576 [0,2,0,0,0,0|0,0,0]=2 233 B9R1.1 c1cc(ccc1NN)Br AS02015 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.1 c1cc(ccc1NN)Cl AS04469 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.1 c1cc(ccc1NN)F AS02961 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.1 c1cc(ccc1OS)I AS02948 [0,2,0,0,0,0|0,0,0]=2 237 B9R1.1 c1cc(ncc1Br)C#N AS04632 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.1 c1cc(ncc1C#N)Br AS04910 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,2,0,0,0,0|1,0,1]=4 240 B9R1.2 C#Cc1cccc(c1)Cl AS06787 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.2 C=Cc1cccc(c1)Br AS03805 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.2 C=Cc1cccc(c1)F AS03775 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.2 CCc1cccc(c1)Br AS03253 [0,2,0,0,0,0|1,0,0]=3 244 B9R1.2 CCc1cccc(c1)N AS00465 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.2 CCc1cccc(c1)O AS04468 [0,2,0,0,0,0|0,0,0]=2 246 B9R1.2 CNc1cccc(c1)O AS06505 [0,2,0,0,0,0|0,0,0]=2 247 B9R1.2 COc1cc(ccn1)Br AS04921 [0,2,0,0,0,0|1,0,0]=3 248 B9R1.2 COc1cccc(c1)Br AS04314 [0,2,0,0,0,0|0,0,0]=2 249 B9R1.2 COc1cccc(c1)Cl AS02677 [0,2,0,0,0,0|0,0,0]=2 250 B9R1.2 COc1cccc(c1)F AS02585 [0,2,0,0,0,0|0,0,0]=2 251 B9R1.2 COc1cccc(c1)I AS02207 [0,2,0,0,0,0|0,0,0]=2 252 B9R1.2 COc1cccc(c1)N AS01512 [0,2,0,0,0,0|0,0,0]=2 253 B9R1.2 COc1cccc(c1)O AS00218 [0,2,0,0,0,0|0,0,0]=2 254 B9R1.2 COc1cccc(c1)S AS00080 [0,2,0,0,0,0|0,0,0]=2 255 B9R1.2 COc1cccc(n1)Br AS04908 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.2 CSc1cccc(c1)Br AS04292 [0,2,0,0,0,0|0,1,0]=3 257 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,2,0,0,0,0|0,1,0]=3 258 B9R1.2 CSc1cccc(c1)F AS04285 [0,2,0,0,0,0|0,1,0]=3 259 B9R1.2 CSc1cccc(c1)I AS04300 [0,2,0,0,0,0|0,1,0]=3 260 B9R1.2 CSc1cccc(c1)N AS04282 [0,2,0,0,0,0|0,1,0]=3 261 B9R1.2 Cc1cccc(c1)C#N AS02590 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.2 Cc1cccc(c1)C=O AS02785 [0,2,0,0,0,0|0,0,1]=3 263 B9R1.2 Cc1cccc(c1)CCl AS00628 [0,2,0,0,0,0|1,0,0]=3 264 B9R1.2 Cc1cccc(c1)CF AS05991 [0,2,0,0,0,0|1,0,0]=3 265 B9R1.2 Cc1cccc(c1)CN AS00385 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.2 Cc1cccc(c1)OC AS01016 [0,2,0,0,0,0|0,0,0]=2 267 B9R1.2 Cc1cccc(c1)SC AS04308 [0,2,0,0,0,0|0,1,0]=3 268 B9R1.2 c1c(cncc1Cl)C#N AS04711 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.2 c1cc(cc(c1)Br)C#N AS03697 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.2 c1cc(cc(c1)Br)C=O AS02864 [0,2,0,0,0,0|0,0,1]=3 271 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [0,2,0,0,0,0|0,0,0]=2 275 B9R1.2 c1cc(cc(c1)Cl)C#N AS03714 [0,2,0,0,0,0|1,0,0]=3 276 B9R1.2 c1cc(cc(c1)Cl)C=O AS02776 [0,2,0,0,0,0|0,0,1]=3 277 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [0,2,0,0,0,0|0,0,0]=2 282 B9R1.2 c1cc(cc(c1)F)C#N AS03735 [0,2,0,0,0,0|1,0,0]=3 283 B9R1.2 c1cc(cc(c1)F)C=O AS03000 [0,2,0,0,0,0|0,0,1]=3 284 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.2 c1cc(cc(c1)F)CF AS05720 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.2 c1cc(cc(c1)F)CN AS00833 [0,2,0,0,0,0|1,0,0]=3 288 B9R1.2 c1cc(cc(c1)F)CN AS01937 [0,2,0,0,0,0|1,0,0]=3 289 B9R1.2 c1cc(cc(c1)F)CO AS03977 [0,2,0,0,0,0|0,0,0]=2 290 B9R1.2 c1cc(cc(c1)F)NN AS02004 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.2 c1cc(cc(c1)I)C#N AS03751 [0,2,0,0,0,0|1,0,0]=3 292 B9R1.2 c1cc(cc(c1)I)C=O AS03915 [0,2,0,0,0,0|0,0,1]=3 293 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.2 c1cc(cc(c1)I)CN AS02222 [0,2,0,0,0,0|1,0,0]=3 295 B9R1.2 c1cc(cc(c1)I)CN AS02300 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.2 c1cc(cc(c1)I)CO AS03986 [0,2,0,0,0,0|0,0,0]=2 297 B9R1.2 c1cc(cc(c1)N)C#N AS02645 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.2 c1cc(cc(c1)N)CO AS00403 [0,2,0,0,0,0|0,0,0]=2 299 B9R1.2 c1cc(cc(c1)O)C#N AS02649 [0,2,0,0,0,0|0,0,0]=2 300 B9R1.2 c1cc(cc(c1)O)CO AS00159 [0,2,0,0,0,0|0,0,0]=2 301 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,2,0,0,0,0|1,0,0]=3 302 B9R1.2 c1cnc(cc1C#N)F AS04725 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,2,0,0,0,0|0,0,1]=3 305 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,2,0,0,0,0|0,0,0]=2 306 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,2,0,0,0,0|0,0,1]=3 307 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [0,2,0,0,0,0|0,0,1]=3 308 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.8 c1ccc(cc1)CC#N AS01366 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.8 c1ccc(cc1)CCCl AS00650 [0,2,0,0,0,0|1,0,0]=3 311 B9R1.8 c1ccc(cc1)CCN AS00484 [0,2,0,0,0,0|1,0,0]=3 312 B9R1.8 c1ccc(cc1)CCO AS00558 [0,2,0,0,0,0|0,0,0]=2 313 B9R1.8 c1ccc(cc1)CON AS04494 [0,2,0,0,0,0|0,0,0]=2 314 B9R1.8 c1ccc(cc1)N=C=O AS04076 [0,2,0,0,0,0|0,0,1]=3 315 B9R1.8 c1ccc(cc1)N=C=S AS04391 [0,2,0,0,0,0|0,1,0]=3 316 B9R1.8 c1ccnc(c1)CCCl AS04932 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.15 C=Cc1ccccc1Br AS03804 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.15 C=Cc1ccccc1F AS03294 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.15 CCc1ccccc1Br AS03252 [0,2,0,0,0,0|1,0,0]=3 320 B9R1.15 CCc1ccccc1I AS02158 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.15 CNc1ccccc1N AS04592 [0,2,0,0,0,0|1,0,0]=3 322 B9R1.15 COc1c(cccn1)Br AS04919 [0,2,0,0,0,0|1,0,0]=3 323 B9R1.15 COc1c(cccn1)I AS04954 [0,2,0,0,0,0|1,0,0]=3 324 B9R1.15 COc1ccccc1Br AS02357 [0,2,0,0,0,0|0,0,0]=2 325 B9R1.15 COc1ccccc1Cl AS02676 [0,2,0,0,0,0|0,0,0]=2 326 B9R1.15 COc1ccccc1F AS01803 [0,2,0,0,0,0|0,0,0]=2 327 B9R1.15 COc1ccccc1I AS02206 [0,2,0,0,0,0|0,0,0]=2 328 B9R1.15 COc1ccccc1N AS01503 [0,2,0,0,0,0|0,0,0]=2 329 B9R1.15 COc1ccncc1Br AS04703 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.15 COc1ccncc1Cl AS04708 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.15 CSc1ccccc1Br AS04291 [0,2,0,0,0,0|0,1,0]=3 332 B9R1.15 CSc1ccccc1Cl AS04287 [0,2,0,0,0,0|0,1,0]=3 333 B9R1.15 CSc1ccccc1F AS04284 [0,2,0,0,0,0|0,1,0]=3 334 B9R1.15 CSc1ccccc1I AS04299 [0,2,0,0,0,0|0,1,0]=3 335 B9R1.15 CSc1ccccc1N AS04281 [0,2,0,0,0,0|0,1,0]=3 336 B9R1.15 CSc1ccccc1O AS04298 [0,2,0,0,0,0|0,0,0]=2 337 B9R1.15 Cc1ccccc1C=O AS02777 [0,2,0,0,0,0|0,0,1]=3 338 B9R1.15 Cc1ccccc1CBr AS02052 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.15 Cc1ccccc1CCl AS03843 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.15 Cc1ccccc1CN AS00380 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.15 Cc1ccccc1NN AS02962 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.15 Cc1ccccc1OC AS01015 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.15 Cc1ccccc1SC AS04306 [0,2,0,0,0,0|0,1,0]=3 344 B9R1.15 Cc1ccncc1C#N AS04710 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.15 c1cc(c(nc1)C#N)F AS04724 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.15 c1ccc(c(c1)C#N)Br AS03696 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.15 c1ccc(c(c1)C#N)Cl AS03713 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.15 c1ccc(c(c1)C#N)F AS03734 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.15 c1ccc(c(c1)C#N)I AS03750 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.15 c1ccc(c(c1)C#N)N AS02644 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.15 c1ccc(c(c1)C#N)O AS02648 [0,2,0,0,0,0|0,0,0]=2 352 B9R1.15 c1ccc(c(c1)C#N)S AS06875 [0,2,0,0,0,0|0,1,0]=3 353 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [0,2,0,0,0,0|0,0,1]=3 354 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [0,2,0,0,0,0|0,0,1]=3 355 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [0,2,0,0,0,0|0,0,1]=3 356 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [0,2,0,0,0,0|0,0,1]=3 357 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [0,2,0,0,0,0|0,0,0]=2 358 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [0,2,0,0,0,0|0,0,0]=2 359 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,2,0,0,0,0|1,0,0]=3 360 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,2,0,0,0,0|1,0,0]=3 364 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,2,0,0,0,0|1,0,0]=3 366 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,2,0,0,0,0|1,0,0]=3 367 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,2,0,0,0,0|1,0,0]=3 368 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,2,0,0,0,0|1,0,0]=3 369 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,2,0,0,0,0|0,0,0]=2 374 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,2,0,0,0,0|0,0,0]=2 375 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,2,0,0,0,0|0,0,0]=2 376 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,2,0,0,0,0|0,0,0]=2 377 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,2,0,0,0,0|0,0,0]=2 378 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,2,0,0,0,0|0,0,0]=2 379 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.15 c1ccc(c(c1)NN)F AS02017 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.15 c1ccc(c(c1)NN)F AS02959 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.69 Cc1c(ccc(n1)Br)Br AS04946 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.69 Cc1c(ccc(n1)Br)F AS04785 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.69 Cc1c(ccc(n1)Cl)F AS04817 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.69 Cc1c(ccc(n1)Cl)N AS04899 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.69 Cc1c(ccc(n1)F)Br AS04802 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.69 Cc1c(ccc(n1)N)Br AS04889 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.69 Cc1c(ccc(n1)N)Cl AS04695 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.69 Cc1cc(c(nc1)Br)F AS04783 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.69 Cc1cc(c(nc1)Cl)F AS04806 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.69 Cc1cc(c(nc1)F)Br AS04792 [0,2,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1cc(c(nc1)F)I AS04837 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,2,0,0,0,0|1,0,0]=3 400 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,2,0,0,0,0|1,0,0]=3 401 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,2,0,0,0,0|0,0,0]=2 402 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,2,0,0,0,0|1,0,0]=3 404 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,2,0,0,0,0|1,0,0]=3 406 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,2,0,0,0,0|1,0,0]=3 408 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,2,0,0,0,0|1,0,0]=3 409 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,2,0,0,0,0|1,0,0]=3 411 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,2,0,0,0,0|1,0,0]=3 415 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,2,0,0,0,0|1,0,0]=3 416 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,2,0,0,0,0|1,0,0]=3 417 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,2,0,0,0,0|0,0,0]=2 419 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,2,0,0,0,0|1,0,0]=3 421 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,2,0,0,0,0|1,0,0]=3 424 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,2,0,0,0,0|0,0,0]=2 425 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,2,0,0,0,0|0,0,0]=2 426 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,2,0,0,0,0|0,0,0]=2 427 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,2,0,0,0,0|0,0,0]=2 428 B9R1.69 Cc1cc(cnc1Br)F AS04784 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.69 Cc1cc(cnc1Cl)Br AS04923 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.69 Cc1cc(cnc1F)N AS04779 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.69 Cc1cc(cnc1N)Br AS00905 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.69 Cc1cc(ncc1Cl)F AS04823 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.69 Cc1ccc(c(c1)Br)Br AS00240 [0,2,0,0,0,0|1,0,0]=3 434 B9R1.69 Cc1ccc(c(c1)Br)Br AS02027 [0,2,0,0,0,0|1,0,0]=3 435 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,2,0,0,0,0|1,0,0]=3 436 B9R1.69 Cc1ccc(c(c1)Br)Cl AS00084 [0,2,0,0,0,0|1,0,0]=3 437 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [0,2,0,0,0,0|1,0,0]=3 438 B9R1.69 Cc1ccc(c(c1)Br)I AS03375 [0,2,0,0,0,0|1,0,0]=3 439 B9R1.69 Cc1ccc(c(c1)Br)N AS03412 [0,2,0,0,0,0|1,0,0]=3 440 B9R1.69 Cc1ccc(c(c1)Br)N AS03417 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,2,0,0,0,0|1,0,0]=3 442 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,2,0,0,0,0|1,0,0]=3 443 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,2,0,0,0,0|1,0,0]=3 445 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,2,0,0,0,0|1,0,0]=3 447 B9R1.69 Cc1ccc(c(c1)Cl)Br AS03175 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [0,2,0,0,0,0|1,0,0]=3 450 B9R1.69 Cc1ccc(c(c1)Cl)I AS00145 [0,2,0,0,0,0|1,0,0]=3 451 B9R1.69 Cc1ccc(c(c1)Cl)N AS05330 [0,2,0,0,0,0|1,0,0]=3 452 B9R1.69 Cc1ccc(c(c1)Cl)O AS02819 [0,2,0,0,0,0|0,0,0]=2 453 B9R1.69 Cc1ccc(c(c1)F)Br AS00304 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.69 Cc1ccc(c(c1)F)Cl AS02760 [0,2,0,0,0,0|1,0,0]=3 455 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [0,2,0,0,0,0|1,0,0]=3 456 B9R1.69 Cc1ccc(c(c1)F)I AS02191 [0,2,0,0,0,0|1,0,0]=3 457 B9R1.69 Cc1ccc(c(c1)F)N AS00425 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.69 Cc1ccc(c(c1)I)Br AS03378 [0,2,0,0,0,0|1,0,0]=3 459 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,2,0,0,0,0|1,0,0]=3 460 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.69 Cc1ccc(c(c1)I)I AS02149 [0,2,0,0,0,0|1,0,0]=3 462 B9R1.69 Cc1ccc(c(c1)I)N AS02255 [0,2,0,0,0,0|1,0,0]=3 463 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [0,2,0,0,0,0|1,0,0]=3 465 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [0,2,0,0,0,0|1,0,0]=3 466 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [0,2,0,0,0,0|1,0,0]=3 467 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [0,2,0,0,0,0|1,0,0]=3 468 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.69 Cc1ccc(c(c1)O)Br AS00227 [0,2,0,0,0,0|0,0,0]=2 470 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.69 Cc1ccc(c(c1)O)Cl AS02820 [0,2,0,0,0,0|0,0,0]=2 472 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [0,2,0,0,0,0|0,0,0]=2 473 B9R1.69 Cc1ccc(c(c1)O)O AS07054 [0,2,0,0,0,0|0,0,0]=2 474 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,2,0,0,0,0|0,1,0]=3 475 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [0,2,0,0,0,0|2,0,0]=4 479 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.69 Cc1ccc(cc1Br)Br AS00135 [0,2,0,0,0,0|1,0,0]=3 484 B9R1.69 Cc1ccc(cc1Br)Cl AS00104 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.69 Cc1ccc(cc1Br)F AS01018 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.69 Cc1ccc(cc1Br)I AS03371 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.69 Cc1ccc(cc1Br)N AS04061 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.69 Cc1ccc(cc1Br)O AS06517 [0,2,0,0,0,0|0,0,0]=2 489 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,2,0,0,0,0|1,0,0]=3 491 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,2,0,0,0,0|1,0,0]=3 493 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,2,0,0,0,0|1,0,0]=3 494 B9R1.69 Cc1ccc(cc1Cl)Br AS00171 [0,2,0,0,0,0|1,0,0]=3 495 B9R1.69 Cc1ccc(cc1Cl)F AS01022 [0,2,0,0,0,0|1,0,0]=3 496 B9R1.69 Cc1ccc(cc1Cl)I AS03076 [0,2,0,0,0,0|1,0,0]=3 497 B9R1.69 Cc1ccc(cc1Cl)N AS03227 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [0,2,0,0,0,0|0,0,0]=2 499 B9R1.69 Cc1ccc(cc1F)Br AS00241 [0,2,0,0,0,0|1,0,0]=3 500 B9R1.69 Cc1ccc(cc1F)Cl AS02759 [0,2,0,0,0,0|1,0,0]=3 501 B9R1.69 Cc1ccc(cc1F)F AS02069 [0,2,0,0,0,0|1,0,0]=3 502 B9R1.69 Cc1ccc(cc1F)I AS02189 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.69 Cc1ccc(cc1F)N AS00436 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.69 Cc1ccc(cc1F)O AS01398 [0,2,0,0,0,0|0,0,0]=2 505 B9R1.69 Cc1ccc(cc1I)Br AS03377 [0,2,0,0,0,0|1,0,0]=3 506 B9R1.69 Cc1ccc(cc1I)Cl AS03079 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.69 Cc1ccc(cc1I)F AS02192 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.69 Cc1ccc(cc1I)I AS02147 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.69 Cc1ccc(cc1I)N AS02256 [0,2,0,0,0,0|1,0,0]=3 510 B9R1.69 Cc1ccc(cc1N)Br AS00457 [0,2,0,0,0,0|1,0,0]=3 511 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [0,2,0,0,0,0|1,0,0]=3 512 B9R1.69 Cc1ccc(cc1N)F AS00350 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.69 Cc1ccc(cc1N)I AS02328 [0,2,0,0,0,0|1,0,0]=3 514 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,2,0,0,0,0|0,0,0]=2 516 B9R1.69 Cc1ccc(cc1O)Br AS04653 [0,2,0,0,0,0|0,0,0]=2 517 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [0,2,0,0,0,0|0,0,0]=2 518 B9R1.69 Cc1ccc(cc1O)F AS00890 [0,2,0,0,0,0|0,0,0]=2 519 B9R1.69 Cc1ccc(cc1O)N AS05434 [0,2,0,0,0,0|0,0,0]=2 520 B9R1.69 Cc1ccc(cc1O)O AS06296 [0,2,0,0,0,0|0,0,0]=2 521 B9R1.69 Cc1cnc(cc1I)F AS04838 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.69 c1c(c(cnc1F)Cl)I AS04822 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.69 c1c(c(cnc1O)F)Br AS04798 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.69 c1c(cnc(c1Br)Br)F AS04726 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.69 c1c(cnc(c1Br)N)Cl AS04694 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.69 c1c(cnc(c1Cl)Br)Cl AS04911 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.69 c1c(cnc(c1F)Br)F AS04717 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.69 c1c(cnc(c1F)Cl)Br AS04720 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.69 c1c(cnc(c1F)Cl)O AS04812 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.69 c1c(cnc(c1N)Br)F AS04715 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.69 c1c(cnc(c1N)N)Br AS06181 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.69 c1cc(c(cc1Br)Br)Br AS03654 [0,2,0,0,0,0|1,0,0]=3 533 B9R1.69 c1cc(c(cc1Br)Br)Cl AS03480 [0,2,0,0,0,0|1,0,0]=3 534 B9R1.69 c1cc(c(cc1Br)Br)F AS03550 [0,2,0,0,0,0|1,0,0]=3 535 B9R1.69 c1cc(c(cc1Br)Br)I AS03563 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.69 c1cc(c(cc1Br)Br)N AS00467 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.69 c1cc(c(cc1Br)Cl)Br AS03481 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.69 c1cc(c(cc1Br)Cl)Cl AS03185 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.69 c1cc(c(cc1Br)Cl)F AS03144 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.69 c1cc(c(cc1Br)Cl)I AS03153 [0,2,0,0,0,0|1,0,0]=3 541 B9R1.69 c1cc(c(cc1Br)Cl)N AS00435 [0,2,0,0,0,0|1,0,0]=3 542 B9R1.69 c1cc(c(cc1Br)Cl)O AS03169 [0,2,0,0,0,0|0,0,0]=2 543 B9R1.69 c1cc(c(cc1Br)F)Br AS03552 [0,2,0,0,0,0|1,0,0]=3 544 B9R1.69 c1cc(c(cc1Br)F)Cl AS01225 [0,2,0,0,0,0|1,0,0]=3 545 B9R1.69 c1cc(c(cc1Br)F)F AS03202 [0,2,0,0,0,0|1,0,0]=3 546 B9R1.69 c1cc(c(cc1Br)F)I AS03315 [0,2,0,0,0,0|1,0,0]=3 547 B9R1.69 c1cc(c(cc1Br)F)N AS03241 [0,2,0,0,0,0|1,0,0]=3 548 B9R1.69 c1cc(c(cc1Br)F)N AS03271 [0,2,0,0,0,0|1,0,0]=3 549 B9R1.69 c1cc(c(cc1Br)F)O AS00212 [0,2,0,0,0,0|0,0,0]=2 550 B9R1.69 c1cc(c(cc1Br)F)S AS05515 [0,2,0,0,0,0|0,1,0]=3 551 B9R1.69 c1cc(c(cc1Br)I)Br AS03564 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.69 c1cc(c(cc1Br)I)Cl AS03156 [0,2,0,0,0,0|1,0,0]=3 553 B9R1.69 c1cc(c(cc1Br)I)I AS03212 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.69 c1cc(c(cc1Br)I)N AS03351 [0,2,0,0,0,0|1,0,0]=3 555 B9R1.69 c1cc(c(cc1Br)I)O AS05450 [0,2,0,0,0,0|0,0,0]=2 556 B9R1.69 c1cc(c(cc1Br)N)Br AS00471 [0,2,0,0,0,0|1,0,0]=3 557 B9R1.69 c1cc(c(cc1Br)N)Cl AS00433 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.69 c1cc(c(cc1Br)N)F AS03273 [0,2,0,0,0,0|1,0,0]=3 559 B9R1.69 c1cc(c(cc1Br)N)F AS04054 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.69 c1cc(c(cc1Br)N)F AS05296 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.69 c1cc(c(cc1Br)N)I AS03352 [0,2,0,0,0,0|1,0,0]=3 562 B9R1.69 c1cc(c(cc1Br)N)N AS00456 [0,2,0,0,0,0|1,0,0]=3 563 B9R1.69 c1cc(c(cc1Br)N)O AS00170 [0,2,0,0,0,0|0,0,0]=2 564 B9R1.69 c1cc(c(cc1Br)O)Br AS04420 [0,2,0,0,0,0|0,0,0]=2 565 B9R1.69 c1cc(c(cc1Br)O)Cl AS00161 [0,2,0,0,0,0|0,0,0]=2 566 B9R1.69 c1cc(c(cc1Br)O)F AS00226 [0,2,0,0,0,0|0,0,0]=2 567 B9R1.69 c1cc(c(cc1Br)O)N AS05408 [0,2,0,0,0,0|0,0,0]=2 568 B9R1.69 c1cc(c(cc1Cl)Br)Br AS03482 [0,2,0,0,0,0|1,0,0]=3 569 B9R1.69 c1cc(c(cc1Cl)Br)Br AS06883 [0,2,0,0,0,0|1,0,0]=3 570 B9R1.69 c1cc(c(cc1Cl)Br)Cl AS03183 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.69 c1cc(c(cc1Cl)Br)F AS03148 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.69 c1cc(c(cc1Cl)Br)I AS03155 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.69 c1cc(c(cc1Cl)Br)N AS01555 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.69 c1cc(c(cc1Cl)Br)O AS03166 [0,2,0,0,0,0|0,0,0]=2 575 B9R1.69 c1cc(c(cc1Cl)Cl)Br AS03182 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.69 c1cc(c(cc1Cl)Cl)F AS02870 [0,2,0,0,0,0|1,0,0]=3 577 B9R1.69 c1cc(c(cc1Cl)Cl)I AS03086 [0,2,0,0,0,0|1,0,0]=3 578 B9R1.69 c1cc(c(cc1Cl)Cl)N AS01519 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.69 c1cc(c(cc1Cl)F)Br AS03146 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.69 c1cc(c(cc1Cl)F)Cl AS02871 [0,2,0,0,0,0|1,0,0]=3 581 B9R1.69 c1cc(c(cc1Cl)F)F AS02694 [0,2,0,0,0,0|1,0,0]=3 582 B9R1.69 c1cc(c(cc1Cl)F)I AS03049 [0,2,0,0,0,0|1,0,0]=3 583 B9R1.69 c1cc(c(cc1Cl)F)N AS00315 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.69 c1cc(c(cc1Cl)F)O AS00395 [0,2,0,0,0,0|0,0,0]=2 585 B9R1.69 c1cc(c(cc1Cl)I)Br AS00283 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.69 c1cc(c(cc1Cl)I)Cl AS03088 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.69 c1cc(c(cc1Cl)I)I AS03040 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.69 c1cc(c(cc1Cl)I)N AS00455 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.69 c1cc(c(cc1Cl)I)O AS05468 [0,2,0,0,0,0|0,0,0]=2 590 B9R1.69 c1cc(c(cc1Cl)N)Br AS03115 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.69 c1cc(c(cc1Cl)N)F AS00333 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.69 c1cc(c(cc1Cl)N)I AS01557 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.69 c1cc(c(cc1Cl)N)N AS01542 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.69 c1cc(c(cc1Cl)N)O AS04639 [0,2,0,0,0,0|0,0,0]=2 595 B9R1.69 c1cc(c(cc1Cl)O)Cl AS02889 [0,2,0,0,0,0|0,0,0]=2 596 B9R1.69 c1cc(c(cc1Cl)O)F AS01380 [0,2,0,0,0,0|0,0,0]=2 597 B9R1.69 c1cc(c(cc1Cl)O)I AS03074 [0,2,0,0,0,0|0,0,0]=2 598 B9R1.69 c1cc(c(cc1F)Br)Br AS03549 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.69 c1cc(c(cc1F)Br)Cl AS03147 [0,2,0,0,0,0|1,0,0]=3 600 B9R1.69 c1cc(c(cc1F)Br)F AS03201 [0,2,0,0,0,0|1,0,0]=3 601 B9R1.69 c1cc(c(cc1F)Br)I AS03318 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.69 c1cc(c(cc1F)Br)N AS00050 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.69 c1cc(c(cc1F)Br)O AS00231 [0,2,0,0,0,0|0,0,0]=2 604 B9R1.69 c1cc(c(cc1F)Cl)Br AS03143 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.69 c1cc(c(cc1F)Cl)Cl AS02869 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.69 c1cc(c(cc1F)Cl)I AS03048 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.69 c1cc(c(cc1F)Cl)N AS00325 [0,2,0,0,0,0|1,0,0]=3 608 B9R1.69 c1cc(c(cc1F)Cl)N AS02721 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.69 c1cc(c(cc1F)Cl)N AS05323 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.69 c1cc(c(cc1F)Cl)O AS00391 [0,2,0,0,0,0|0,0,0]=2 611 B9R1.69 c1cc(c(cc1F)Cl)S AS05517 [0,2,0,0,0,0|0,1,0]=3 612 B9R1.69 c1cc(c(cc1F)F)Br AS03200 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.69 c1cc(c(cc1F)F)Cl AS00268 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.69 c1cc(c(cc1F)F)F AS01587 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.69 c1cc(c(cc1F)F)I AS03093 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.69 c1cc(c(cc1F)F)N AS01534 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.69 c1cc(c(cc1F)F)O AS00157 [0,2,0,0,0,0|0,0,0]=2 618 B9R1.69 c1cc(c(cc1F)F)S AS05520 [0,2,0,0,0,0|0,1,0]=3 619 B9R1.69 c1cc(c(cc1F)I)Br AS03316 [0,2,0,0,0,0|1,0,0]=3 620 B9R1.69 c1cc(c(cc1F)I)Cl AS03046 [0,2,0,0,0,0|1,0,0]=3 621 B9R1.69 c1cc(c(cc1F)I)F AS02127 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.69 c1cc(c(cc1F)I)I AS02136 [0,2,0,0,0,0|1,0,0]=3 623 B9R1.69 c1cc(c(cc1F)I)N AS04081 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.69 c1cc(c(cc1F)I)O AS06581 [0,2,0,0,0,0|0,0,0]=2 625 B9R1.69 c1cc(c(cc1F)N)Br AS00051 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.69 c1cc(c(cc1F)N)Cl AS00334 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.69 c1cc(c(cc1F)N)F AS01535 [0,2,0,0,0,0|1,0,0]=3 628 B9R1.69 c1cc(c(cc1F)N)I AS03197 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.69 c1cc(c(cc1F)N)N AS01545 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.69 c1cc(c(cc1F)N)O AS00224 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.69 c1cc(c(cc1F)O)Br AS00222 [0,2,0,0,0,0|0,0,0]=2 632 B9R1.69 c1cc(c(cc1F)O)Cl AS00194 [0,2,0,0,0,0|0,0,0]=2 633 B9R1.69 c1cc(c(cc1F)O)F AS00183 [0,2,0,0,0,0|0,0,0]=2 634 B9R1.69 c1cc(c(cc1F)O)I AS06580 [0,2,0,0,0,0|0,0,0]=2 635 B9R1.69 c1cc(c(cc1F)O)N AS01348 [0,2,0,0,0,0|0,0,0]=2 636 B9R1.69 c1cc(c(cc1F)O)O AS01420 [0,2,0,0,0,0|0,0,0]=2 637 B9R1.69 c1cc(c(cc1I)Br)Br AS03562 [0,2,0,0,0,0|1,0,0]=3 638 B9R1.69 c1cc(c(cc1I)Br)Cl AS03154 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.69 c1cc(c(cc1I)Br)Cl AS04633 [0,2,0,0,0,0|1,0,0]=3 640 B9R1.69 c1cc(c(cc1I)Br)F AS00284 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.69 c1cc(c(cc1I)Br)F AS03317 [0,2,0,0,0,0|1,0,0]=3 642 B9R1.69 c1cc(c(cc1I)Br)I AS03211 [0,2,0,0,0,0|1,0,0]=3 643 B9R1.69 c1cc(c(cc1I)Br)N AS03349 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.69 c1cc(c(cc1I)Br)N AS05298 [0,2,0,0,0,0|1,0,0]=3 645 B9R1.69 c1cc(c(cc1I)Br)O AS06568 [0,2,0,0,0,0|0,0,0]=2 646 B9R1.69 c1cc(c(cc1I)Cl)Br AS03152 [0,2,0,0,0,0|1,0,0]=3 647 B9R1.69 c1cc(c(cc1I)Cl)Cl AS03085 [0,2,0,0,0,0|1,0,0]=3 648 B9R1.69 c1cc(c(cc1I)Cl)F AS03047 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.69 c1cc(c(cc1I)Cl)I AS03039 [0,2,0,0,0,0|1,0,0]=3 650 B9R1.69 c1cc(c(cc1I)Cl)N AS00468 [0,2,0,0,0,0|1,0,0]=3 651 B9R1.69 c1cc(c(cc1I)F)Br AS00285 [0,2,0,0,0,0|1,0,0]=3 652 B9R1.69 c1cc(c(cc1I)F)Cl AS03045 [0,2,0,0,0,0|1,0,0]=3 653 B9R1.69 c1cc(c(cc1I)F)F AS03091 [0,2,0,0,0,0|1,0,0]=3 654 B9R1.69 c1cc(c(cc1I)F)I AS02137 [0,2,0,0,0,0|1,0,0]=3 655 B9R1.69 c1cc(c(cc1I)F)N AS00439 [0,2,0,0,0,0|1,0,0]=3 656 B9R1.69 c1cc(c(cc1I)F)O AS05492 [0,2,0,0,0,0|0,0,0]=2 657 B9R1.69 c1cc(c(cc1I)N)N AS05687 [0,2,0,0,0,0|1,0,0]=3 658 B9R1.69 c1cc(c(cc1I)O)Cl AS03072 [0,2,0,0,0,0|0,0,0]=2 659 B9R1.69 c1cc(c(cc1I)O)I AS06590 [0,2,0,0,0,0|0,0,0]=2 660 B9R1.69 c1cc(c(cc1N)Br)Cl AS03116 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.69 c1cc(c(cc1N)Br)Cl AS03684 [0,2,0,0,0,0|1,0,0]=3 662 B9R1.69 c1cc(c(cc1N)Br)F AS03266 [0,2,0,0,0,0|1,0,0]=3 663 B9R1.69 c1cc(c(cc1N)Br)F AS03685 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.69 c1cc(c(cc1N)Br)I AS03350 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.69 c1cc(c(cc1N)Br)N AS05681 [0,2,0,0,0,0|1,0,0]=3 666 B9R1.69 c1cc(c(cc1N)Cl)Br AS01554 [0,2,0,0,0,0|1,0,0]=3 667 B9R1.69 c1cc(c(cc1N)Cl)Cl AS01525 [0,2,0,0,0,0|1,0,0]=3 668 B9R1.69 c1cc(c(cc1N)Cl)F AS00440 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.69 c1cc(c(cc1N)Cl)I AS03051 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.69 c1cc(c(cc1N)Cl)O AS06870 [0,2,0,0,0,0|0,0,0]=2 671 B9R1.69 c1cc(c(cc1N)F)Br AS03869 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.69 c1cc(c(cc1N)F)Cl AS00336 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.69 c1cc(c(cc1N)F)F AS00794 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.69 c1cc(c(cc1N)F)F AS01536 [0,2,0,0,0,0|1,0,0]=3 675 B9R1.69 c1cc(c(cc1N)F)F AS04472 [0,2,0,0,0,0|1,0,0]=3 676 B9R1.69 c1cc(c(cc1N)F)F AS05352 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.69 c1cc(c(cc1N)F)I AS04079 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.69 c1cc(c(cc1N)F)O AS01350 [0,2,0,0,0,0|0,0,0]=2 679 B9R1.69 c1cc(c(cc1N)N)Br AS05680 [0,2,0,0,0,0|1,0,0]=3 680 B9R1.69 c1cc(c(cc1N)N)F AS01546 [0,2,0,0,0,0|1,0,0]=3 681 B9R1.69 c1cc(c(cc1N)O)Cl AS05416 [0,2,0,0,0,0|0,0,0]=2 682 B9R1.69 c1cc(c(cc1O)Br)Br AS03581 [0,2,0,0,0,0|0,0,0]=2 683 B9R1.69 c1cc(c(cc1O)Br)Cl AS03167 [0,2,0,0,0,0|0,0,0]=2 684 B9R1.69 c1cc(c(cc1O)Br)F AS00390 [0,2,0,0,0,0|0,0,0]=2 685 B9R1.69 c1cc(c(cc1O)Cl)Br AS00225 [0,2,0,0,0,0|0,0,0]=2 686 B9R1.69 c1cc(c(cc1O)Cl)Cl AS00195 [0,2,0,0,0,0|0,0,0]=2 687 B9R1.69 c1cc(c(cc1O)Cl)F AS00392 [0,2,0,0,0,0|0,0,0]=2 688 B9R1.69 c1cc(c(cc1O)Cl)I AS06504 [0,2,0,0,0,0|0,0,0]=2 689 B9R1.69 c1cc(c(cc1O)Cl)N AS05415 [0,2,0,0,0,0|0,0,0]=2 690 B9R1.69 c1cc(c(cc1O)Cl)N AS06974 [0,2,0,0,0,0|0,0,0]=2 691 B9R1.69 c1cc(c(cc1O)Cl)O AS02779 [0,2,0,0,0,0|0,0,0]=2 692 B9R1.69 c1cc(c(cc1O)F)Br AS00389 [0,2,0,0,0,0|0,0,0]=2 693 B9R1.69 c1cc(c(cc1O)F)Cl AS00396 [0,2,0,0,0,0|0,0,0]=2 694 B9R1.69 c1cc(c(cc1O)F)F AS00210 [0,2,0,0,0,0|0,0,0]=2 695 B9R1.69 c1cc(c(cc1O)F)I AS06570 [0,2,0,0,0,0|0,0,0]=2 696 B9R1.69 c1cc(c(cc1O)F)N AS01351 [0,2,0,0,0,0|0,0,0]=2 697 B9R1.69 c1cc(c(cc1O)I)Cl AS03073 [0,2,0,0,0,0|0,0,0]=2 698 B9R1.69 c1cc(c(cc1O)I)Cl AS05469 [0,2,0,0,0,0|0,0,0]=2 699 B9R1.69 c1cc(c(cc1O)N)F AS01349 [0,2,0,0,0,0|0,0,0]=2 700 B9R1.69 c1cc(c(cc1O)O)F AS05497 [0,2,0,0,0,0|0,0,0]=2 701 B9R1.69 c1cc(c(cc1O)O)N AS05427 [0,2,0,0,0,0|0,0,0]=2 702 B9R1.69 c1cc(c(cc1O)O)O AS00200 [0,2,0,0,0,0|0,0,0]=2 703 B9R1.69 c1cc(c(cc1S)Cl)F AS05518 [0,2,0,0,0,0|0,1,0]=3 704 B9R1.69 c1cc(c(cc1S)F)F AS05521 [0,2,0,0,0,0|0,1,0]=3 705 B9R1.3 Cc1c(cccc1Br)Br AS03583 [0,2,0,0,0,0|1,0,0]=3 706 B9R1.3 Cc1c(cccc1Br)Cl AS00103 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.3 Cc1c(cccc1Br)F AS03334 [0,2,0,0,0,0|1,0,0]=3 708 B9R1.3 Cc1c(cccc1Br)N AS04060 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.3 Cc1c(cccc1Cl)Cl AS02896 [0,2,0,0,0,0|1,0,0]=3 710 B9R1.3 Cc1c(cccc1Cl)F AS00105 [0,2,0,0,0,0|1,0,0]=3 711 B9R1.3 Cc1c(cccc1Cl)N AS05331 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.3 Cc1c(cccc1Cl)O AS02821 [0,2,0,0,0,0|0,0,0]=2 713 B9R1.3 Cc1c(cccc1F)F AS00141 [0,2,0,0,0,0|1,0,0]=3 714 B9R1.3 Cc1c(cccc1F)N AS04090 [0,2,0,0,0,0|1,0,0]=3 715 B9R1.3 Cc1c(cccc1F)O AS01397 [0,2,0,0,0,0|0,0,0]=2 716 B9R1.3 Cc1c(cccc1I)Br AS03373 [0,2,0,0,0,0|1,0,0]=3 717 B9R1.3 Cc1c(cccc1I)Cl AS01025 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.3 Cc1c(cccc1I)F AS02190 [0,2,0,0,0,0|1,0,0]=3 719 B9R1.3 Cc1c(ccnc1Cl)I AS04931 [0,2,0,0,0,0|2,0,0]=4 720 B9R1.3 Cc1cccc(c1Br)Br AS03582 [0,2,0,0,0,0|1,0,0]=3 721 B9R1.3 Cc1cccc(c1Br)C AS00265 [0,2,0,0,0,0|1,0,0]=3 722 B9R1.3 Cc1cccc(c1Br)F AS02047 [0,2,0,0,0,0|1,0,0]=3 723 B9R1.3 Cc1cccc(c1Br)I AS03370 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.3 Cc1cccc(c1Br)N AS03411 [0,2,0,0,0,0|1,0,0]=3 725 B9R1.3 Cc1cccc(c1C)Br AS00263 [0,2,0,0,0,0|1,0,0]=3 726 B9R1.3 Cc1cccc(c1C)Cl AS02701 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.3 Cc1cccc(c1C)F AS01577 [0,2,0,0,0,0|1,0,0]=3 728 B9R1.3 Cc1cccc(c1C)I AS02150 [0,2,0,0,0,0|1,0,0]=3 729 B9R1.3 Cc1cccc(c1C)N AS01547 [0,2,0,0,0,0|1,0,0]=3 730 B9R1.3 Cc1cccc(c1C)O AS00199 [0,2,0,0,0,0|0,0,0]=2 731 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [0,2,0,0,0,0|1,0,0]=3 732 B9R1.3 Cc1cccc(c1Cl)C AS02706 [0,2,0,0,0,0|1,0,0]=3 733 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [0,2,0,0,0,0|1,0,0]=3 734 B9R1.3 Cc1cccc(c1Cl)I AS03075 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.3 Cc1cccc(c1Cl)N AS02803 [0,2,0,0,0,0|1,0,0]=3 736 B9R1.3 Cc1cccc(c1F)Br AS02051 [0,2,0,0,0,0|1,0,0]=3 737 B9R1.3 Cc1cccc(c1F)C AS01578 [0,2,0,0,0,0|1,0,0]=3 738 B9R1.3 Cc1cccc(c1F)Cl AS02063 [0,2,0,0,0,0|1,0,0]=3 739 B9R1.3 Cc1cccc(c1F)F AS02068 [0,2,0,0,0,0|1,0,0]=3 740 B9R1.3 Cc1cccc(c1F)I AS02073 [0,2,0,0,0,0|1,0,0]=3 741 B9R1.3 Cc1cccc(c1F)N AS04088 [0,2,0,0,0,0|1,0,0]=3 742 B9R1.3 Cc1cccc(c1F)O AS01396 [0,2,0,0,0,0|0,0,0]=2 743 B9R1.3 Cc1cccc(c1I)Br AS03374 [0,2,0,0,0,0|1,0,0]=3 744 B9R1.3 Cc1cccc(c1I)C AS02152 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.3 Cc1cccc(c1I)Cl AS03078 [0,2,0,0,0,0|1,0,0]=3 746 B9R1.3 Cc1cccc(c1I)F AS02032 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.3 Cc1cccc(c1I)F AS05019 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.3 Cc1cccc(c1I)I AS02146 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.3 Cc1cccc(c1I)N AS02254 [0,2,0,0,0,0|1,0,0]=3 750 B9R1.3 Cc1cccc(c1I)O AS06519 [0,2,0,0,0,0|0,0,0]=2 751 B9R1.3 Cc1cccc(c1N)Br AS05299 [0,2,0,0,0,0|1,0,0]=3 752 B9R1.3 Cc1cccc(c1N)C AS01550 [0,2,0,0,0,0|1,0,0]=3 753 B9R1.3 Cc1cccc(c1N)Cl AS06940 [0,2,0,0,0,0|1,0,0]=3 754 B9R1.3 Cc1cccc(c1N)F AS04089 [0,2,0,0,0,0|1,0,0]=3 755 B9R1.3 Cc1cccc(c1N)N AS00446 [0,2,0,0,0,0|1,0,0]=3 756 B9R1.3 Cc1cccc(c1N)O AS05432 [0,2,0,0,0,0|0,0,0]=2 757 B9R1.3 Cc1cccc(c1O)C AS00179 [0,2,0,0,0,0|0,0,0]=2 758 B9R1.3 Cc1cccc(c1O)Cl AS04496 [0,2,0,0,0,0|0,0,0]=2 759 B9R1.3 Cc1cccc(c1O)F AS05495 [0,2,0,0,0,0|0,0,0]=2 760 B9R1.3 Cc1ccnc(c1F)Br AS04788 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.3 Cc1ccnc(c1F)Cl AS04805 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.3 c1cc(c(c(c1)Br)Br)F AS05697 [0,2,0,0,0,0|1,0,0]=3 763 B9R1.3 c1cc(c(c(c1)Br)Br)N AS03500 [0,2,0,0,0,0|1,0,0]=3 764 B9R1.3 c1cc(c(c(c1)Br)Br)O AS05478 [0,2,0,0,0,0|0,0,0]=2 765 B9R1.3 c1cc(c(c(c1)Br)Cl)Br AS05691 [0,2,0,0,0,0|1,0,0]=3 766 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl AS03181 [0,2,0,0,0,0|1,0,0]=3 767 B9R1.3 c1cc(c(c(c1)Br)Cl)F AS01224 [0,2,0,0,0,0|1,0,0]=3 768 B9R1.3 c1cc(c(c(c1)Br)Cl)O AS06539 [0,2,0,0,0,0|0,0,0]=2 769 B9R1.3 c1cc(c(c(c1)Br)F)Br AS05696 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.3 c1cc(c(c(c1)Br)F)Cl AS01223 [0,2,0,0,0,0|1,0,0]=3 771 B9R1.3 c1cc(c(c(c1)Br)F)F AS01011 [0,2,0,0,0,0|1,0,0]=3 772 B9R1.3 c1cc(c(c(c1)Br)F)N AS05295 [0,2,0,0,0,0|1,0,0]=3 773 B9R1.3 c1cc(c(c(c1)Br)F)O AS05444 [0,2,0,0,0,0|0,0,0]=2 774 B9R1.3 c1cc(c(c(c1)Br)I)Br AS05699 [0,2,0,0,0,0|1,0,0]=3 775 B9R1.3 c1cc(c(c(c1)Br)I)O AS05449 [0,2,0,0,0,0|0,0,0]=2 776 B9R1.3 c1cc(c(c(c1)Br)N)Br AS00472 [0,2,0,0,0,0|1,0,0]=3 777 B9R1.3 c1cc(c(c(c1)Br)N)Cl AS05285 [0,2,0,0,0,0|1,0,0]=3 778 B9R1.3 c1cc(c(c(c1)Br)N)F AS01511 [0,2,0,0,0,0|1,0,0]=3 779 B9R1.3 c1cc(c(c(c1)Br)N)O AS05407 [0,2,0,0,0,0|0,0,0]=2 780 B9R1.3 c1cc(c(c(c1)Br)O)Br AS06977 [0,2,0,0,0,0|0,0,0]=2 781 B9R1.3 c1cc(c(c(c1)Br)O)Cl AS06586 [0,2,0,0,0,0|0,0,0]=2 782 B9R1.3 c1cc(c(c(c1)Br)O)F AS00388 [0,2,0,0,0,0|0,0,0]=2 783 B9R1.3 c1cc(c(c(c1)Br)O)N AS04649 [0,2,0,0,0,0|0,0,0]=2 784 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl AS03184 [0,2,0,0,0,0|1,0,0]=3 785 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl AS00242 [0,2,0,0,0,0|1,0,0]=3 786 B9R1.3 c1cc(c(c(c1)Cl)Cl)F AS01227 [0,2,0,0,0,0|1,0,0]=3 787 B9R1.3 c1cc(c(c(c1)Cl)Cl)N AS01518 [0,2,0,0,0,0|1,0,0]=3 788 B9R1.3 c1cc(c(c(c1)Cl)F)F AS01529 [0,2,0,0,0,0|1,0,0]=3 789 B9R1.3 c1cc(c(c(c1)Cl)F)N AS00335 [0,2,0,0,0,0|1,0,0]=3 790 B9R1.3 c1cc(c(c(c1)Cl)F)N AS04482 [0,2,0,0,0,0|1,0,0]=3 791 B9R1.3 c1cc(c(c(c1)Cl)F)N AS05324 [0,2,0,0,0,0|1,0,0]=3 792 B9R1.3 c1cc(c(c(c1)Cl)F)O AS01377 [0,2,0,0,0,0|0,0,0]=2 793 B9R1.3 c1cc(c(c(c1)Cl)I)Cl AS00286 [0,2,0,0,0,0|1,0,0]=3 794 B9R1.3 c1cc(c(c(c1)Cl)I)N AS05329 [0,2,0,0,0,0|1,0,0]=3 795 B9R1.3 c1cc(c(c(c1)Cl)I)O AS05467 [0,2,0,0,0,0|0,0,0]=2 796 B9R1.3 c1cc(c(c(c1)Cl)N)Cl AS01523 [0,2,0,0,0,0|1,0,0]=3 797 B9R1.3 c1cc(c(c(c1)Cl)N)F AS00332 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.3 c1cc(c(c(c1)Cl)O)Cl AS04577 [0,2,0,0,0,0|0,0,0]=2 799 B9R1.3 c1cc(c(c(c1)Cl)O)F AS00394 [0,2,0,0,0,0|0,0,0]=2 800 B9R1.3 c1cc(c(c(c1)Cl)O)O AS06480 [0,2,0,0,0,0|0,0,0]=2 801 B9R1.3 c1cc(c(c(c1)F)Br)F AS01068 [0,2,0,0,0,0|1,0,0]=3 802 B9R1.3 c1cc(c(c(c1)F)Br)N AS04053 [0,2,0,0,0,0|1,0,0]=3 803 B9R1.3 c1cc(c(c(c1)F)Br)O AS00201 [0,2,0,0,0,0|0,0,0]=2 804 B9R1.3 c1cc(c(c(c1)F)Cl)F AS02693 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.3 c1cc(c(c(c1)F)Cl)N AS04067 [0,2,0,0,0,0|1,0,0]=3 806 B9R1.3 c1cc(c(c(c1)F)Cl)O AS05465 [0,2,0,0,0,0|0,0,0]=2 807 B9R1.3 c1cc(c(c(c1)F)F)F AS04481 [0,2,0,0,0,0|1,0,0]=3 808 B9R1.3 c1cc(c(c(c1)F)F)N AS00340 [0,2,0,0,0,0|1,0,0]=3 809 B9R1.3 c1cc(c(c(c1)F)F)O AS00198 [0,2,0,0,0,0|0,0,0]=2 810 B9R1.3 c1cc(c(c(c1)F)I)F AS03092 [0,2,0,0,0,0|1,0,0]=3 811 B9R1.3 c1cc(c(c(c1)F)I)N AS04078 [0,2,0,0,0,0|1,0,0]=3 812 B9R1.3 c1cc(c(c(c1)F)I)N AS06966 [0,2,0,0,0,0|1,0,0]=3 813 B9R1.3 c1cc(c(c(c1)F)N)F AS00339 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.3 c1cc(c(c(c1)F)N)N AS05686 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.3 c1cc(c(c(c1)F)O)F AS00191 [0,2,0,0,0,0|0,0,0]=2 816 B9R1.3 c1cc(c(c(c1)F)O)O AS01419 [0,2,0,0,0,0|0,0,0]=2 817 B9R1.3 c1cc(c(c(c1)I)Br)F AS06323 [0,2,0,0,0,0|1,0,0]=3 818 B9R1.3 c1cc(c(c(c1)I)Cl)Cl AS03084 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.3 c1cc(c(c(c1)I)F)Cl AS01537 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.3 c1cc(c(c(c1)I)F)F AS05705 [0,2,0,0,0,0|1,0,0]=3 821 B9R1.3 c1cc(c(c(c1)I)N)Cl AS05328 [0,2,0,0,0,0|1,0,0]=3 822 B9R1.3 c1cc(c(c(c1)I)O)Br AS06566 [0,2,0,0,0,0|0,0,0]=2 823 B9R1.3 c1cc(c(c(c1)I)O)Cl AS06544 [0,2,0,0,0,0|0,0,0]=2 824 B9R1.3 c1cc(c(c(c1)O)Cl)O AS06479 [0,2,0,0,0,0|0,0,0]=2 825 B9R1.3 c1cc(c(c(c1)O)F)O AS01418 [0,2,0,0,0,0|0,0,0]=2 826 B9R1.3 c1cnc(c(c1I)Br)F AS04793 [0,2,0,0,0,0|2,0,0]=4 827 B9R1.3 c1cnc(c(c1I)F)Cl AS04810 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.34 Cc1cc(cc(c1)Br)Br AS00125 [0,2,0,0,0,0|1,0,0]=3 829 B9R1.34 Cc1cc(cc(c1)Br)C AS03234 [0,2,0,0,0,0|1,0,0]=3 830 B9R1.34 Cc1cc(cc(c1)Br)Cl AS03664 [0,2,0,0,0,0|1,0,0]=3 831 B9R1.34 Cc1cc(cc(c1)Br)F AS01020 [0,2,0,0,0,0|1,0,0]=3 832 B9R1.34 Cc1cc(cc(c1)Br)N AS03667 [0,2,0,0,0,0|1,0,0]=3 833 B9R1.34 Cc1cc(cc(c1)Br)O AS05454 [0,2,0,0,0,0|0,0,0]=2 834 B9R1.34 Cc1cc(cc(c1)Cl)C AS02705 [0,2,0,0,0,0|1,0,0]=3 835 B9R1.34 Cc1cc(cc(c1)Cl)Cl AS06320 [0,2,0,0,0,0|1,0,0]=3 836 B9R1.34 Cc1cc(cc(c1)Cl)N AS06942 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.34 Cc1cc(cc(c1)F)C AS01579 [0,2,0,0,0,0|1,0,0]=3 838 B9R1.34 Cc1cc(cc(c1)F)F AS02072 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.34 Cc1cc(cc(c1)F)N AS03243 [0,2,0,0,0,0|1,0,0]=3 840 B9R1.34 Cc1cc(cc(c1)I)Br AS03376 [0,2,0,0,0,0|1,0,0]=3 841 B9R1.34 Cc1cc(cc(c1)I)C AS02154 [0,2,0,0,0,0|1,0,0]=3 842 B9R1.34 Cc1cc(cc(c1)I)F AS02075 [0,2,0,0,0,0|1,0,0]=3 843 B9R1.34 Cc1cc(cc(c1)O)C AS00190 [0,2,0,0,0,0|0,0,0]=2 844 B9R1.34 Cc1cc(cc(c1)S)C AS04133 [0,2,0,0,0,0|0,1,0]=3 845 B9R1.34 c1c(cc(cc1Br)Br)Br AS00246 [0,2,0,0,0,0|1,0,0]=3 846 B9R1.34 c1c(cc(cc1Br)Br)Cl AS03483 [0,2,0,0,0,0|1,0,0]=3 847 B9R1.34 c1c(cc(cc1Br)Br)F AS03551 [0,2,0,0,0,0|1,0,0]=3 848 B9R1.34 c1c(cc(cc1Br)Br)N AS00129 [0,2,0,0,0,0|1,0,0]=3 849 B9R1.34 c1c(cc(cc1Br)Br)O AS00158 [0,2,0,0,0,0|0,0,0]=2 850 B9R1.34 c1c(cc(cc1Br)I)F AS01515 [0,2,0,0,0,0|1,0,0]=3 851 B9R1.34 c1c(cc(cc1Cl)Br)Cl AS03186 [0,2,0,0,0,0|1,0,0]=3 852 B9R1.34 c1c(cc(cc1Cl)Br)F AS03145 [0,2,0,0,0,0|1,0,0]=3 853 B9R1.34 c1c(cc(cc1Cl)Br)N AS03660 [0,2,0,0,0,0|1,0,0]=3 854 B9R1.34 c1c(cc(cc1Cl)Br)O AS03168 [0,2,0,0,0,0|0,0,0]=2 855 B9R1.34 c1c(cc(cc1Cl)Cl)F AS01226 [0,2,0,0,0,0|1,0,0]=3 856 B9R1.34 c1c(cc(cc1Cl)Cl)N AS01526 [0,2,0,0,0,0|1,0,0]=3 857 B9R1.34 c1c(cc(cc1Cl)Cl)O AS00184 [0,2,0,0,0,0|0,0,0]=2 858 B9R1.34 c1c(cc(cc1Cl)I)Cl AS03087 [0,2,0,0,0,0|1,0,0]=3 859 B9R1.34 c1c(cc(cc1F)Br)F AS01023 [0,2,0,0,0,0|1,0,0]=3 860 B9R1.34 c1c(cc(cc1F)Br)N AS04510 [0,2,0,0,0,0|1,0,0]=3 861 B9R1.34 c1c(cc(cc1F)Br)O AS01363 [0,2,0,0,0,0|0,0,0]=2 862 B9R1.34 c1c(cc(cc1F)Cl)F AS00269 [0,2,0,0,0,0|1,0,0]=3 863 B9R1.34 c1c(cc(cc1F)Cl)N AS00337 [0,2,0,0,0,0|1,0,0]=3 864 B9R1.34 c1c(cc(cc1F)Cl)O AS00393 [0,2,0,0,0,0|0,0,0]=2 865 B9R1.34 c1c(cc(cc1F)F)F AS05743 [0,2,0,0,0,0|1,0,0]=3 866 B9R1.34 c1c(cc(cc1F)F)N AS00338 [0,2,0,0,0,0|1,0,0]=3 867 B9R1.34 c1c(cc(cc1F)F)O AS00208 [0,2,0,0,0,0|0,0,0]=2 868 B9R1.34 c1c(cc(cc1F)I)F AS02332 [0,2,0,0,0,0|1,0,0]=3 869 B9R1.34 c1c(cc(cc1F)I)N AS04080 [0,2,0,0,0,0|1,0,0]=3 870 B9R1.34 c1c(cc(cc1N)N)N AS05402 [0,2,0,0,0,0|1,0,0]=3 871 B9R1.34 c1c(cc(cc1N)N)N AS07164 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.34 c1c(cc(cc1O)Br)O AS05459 [0,2,0,0,0,0|0,0,0]=2 873 B9R1.34 c1c(cc(cc1O)O)O AS04650 [0,2,0,0,0,0|0,0,0]=2