0 B8R1.5 Cc1c(cccn1)Br AS04917 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.5 Cc1c(cccn1)N AS04896 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.5 Cc1ccccc1Br AS03471 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.5 Cc1ccccc1F AS00300 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.5 Cc1ccccc1I AS02292 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.5 Cc1ccccc1N AS01510 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.5 Cc1ccccc1O AS00217 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.5 Cc1cccnc1Cl AS06186 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.5 Cc1cccnc1F AS04849 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.5 Cc1ccncc1F AS04731 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.5 Cc1cnccc1F AS04869 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.5 c1cc(c(nc1)Br)F AS04780 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.5 c1cc(c(nc1)Br)N AS04696 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.5 c1cc(c(nc1)F)Br AS04791 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.5 c1cc(c(nc1)F)F AS04883 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.5 c1cc(c(nc1)F)I AS04835 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.5 c1cc(c(nc1)F)N AS04774 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.5 c1cc(c(nc1)F)O AS04833 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.5 c1cc(c(nc1)I)F AS04864 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.5 c1cc(c(nc1)O)Br AS04918 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.5 c1ccc(c(c1)Br)Br AS03512 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.5 c1ccc(c(c1)Br)I AS03360 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.5 c1ccc(c(c1)Cl)Br AS03126 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.5 c1ccc(c(c1)Cl)Cl AS00250 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.5 c1ccc(c(c1)Cl)I AS03061 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.5 c1ccc(c(c1)F)Br AS03287 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.5 c1ccc(c(c1)F)F AS00252 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.5 c1ccc(c(c1)F)I AS02178 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.5 c1ccc(c(c1)F)S AS04132 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.5 c1ccc(c(c1)I)I AS02129 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.5 c1ccc(c(c1)N)Br AS00913 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.5 c1ccc(c(c1)N)F AS00827 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.5 c1ccc(c(c1)N)F AS01506 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.5 c1ccc(c(c1)N)I AS00404 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.5 c1ccc(c(c1)N)O AS00211 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.5 c1ccc(c(c1)O)Br AS03449 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.5 c1ccc(c(c1)O)F AS00891 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.5 c1ccc(c(c1)O)I AS02283 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.3 c1cc(cnc1)Br AS03469 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 c1cc(cnc1)Cl AS02841 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 c1cc(cnc1)F AS06189 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 c1ccc(cc1)I AS02214 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 c1ccc(cc1)I AS04509 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 c1ccc(cc1)S AS04135 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 c1ccnc(c1)Cl AS06184 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 c1ccnc(c1)F AS04826 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.3 Cc1c(cccc1Br)Br AS03583 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.3 Cc1c(cccc1Br)Cl AS00103 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.3 Cc1c(cccc1Br)F AS03334 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.3 Cc1c(cccc1Br)N AS04060 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.3 Cc1c(cccc1Cl)Cl AS02896 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.3 Cc1c(cccc1Cl)F AS00105 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.3 Cc1c(cccc1Cl)N AS05331 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.3 Cc1c(cccc1Cl)O AS02821 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.3 Cc1c(cccc1F)F AS00141 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.3 Cc1c(cccc1F)N AS04090 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.3 Cc1c(cccc1F)O AS01397 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.3 Cc1c(cccc1I)Br AS03373 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.3 Cc1c(cccc1I)Cl AS01025 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.3 Cc1c(cccc1I)F AS02190 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.3 Cc1c(ccnc1Cl)I AS04931 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.3 Cc1cccc(c1Br)Br AS03582 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.3 Cc1cccc(c1Br)C AS00265 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.3 Cc1cccc(c1Br)F AS02047 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.3 Cc1cccc(c1Br)I AS03370 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.3 Cc1cccc(c1Br)N AS03411 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.3 Cc1cccc(c1C)Br AS00263 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.3 Cc1cccc(c1C)Cl AS02701 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.3 Cc1cccc(c1C)F AS01577 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.3 Cc1cccc(c1C)I AS02150 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.3 Cc1cccc(c1C)N AS01547 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.3 Cc1cccc(c1C)O AS00199 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.3 Cc1cccc(c1Cl)C AS02706 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.3 Cc1cccc(c1Cl)I AS03075 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.3 Cc1cccc(c1Cl)N AS02803 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.3 Cc1cccc(c1F)Br AS02051 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.3 Cc1cccc(c1F)C AS01578 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 Cc1cccc(c1F)Cl AS02063 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.3 Cc1cccc(c1F)F AS02068 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.3 Cc1cccc(c1F)I AS02073 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.3 Cc1cccc(c1F)N AS04088 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.3 Cc1cccc(c1F)O AS01396 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.3 Cc1cccc(c1I)Br AS03374 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.3 Cc1cccc(c1I)C AS02152 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.3 Cc1cccc(c1I)Cl AS03078 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.3 Cc1cccc(c1I)F AS02032 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.3 Cc1cccc(c1I)F AS05019 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.3 Cc1cccc(c1I)I AS02146 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.3 Cc1cccc(c1I)N AS02254 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.3 Cc1cccc(c1I)O AS06519 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.3 Cc1cccc(c1N)Br AS05299 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.3 Cc1cccc(c1N)C AS01550 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.3 Cc1cccc(c1N)Cl AS06940 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.3 Cc1cccc(c1N)F AS04089 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.3 Cc1cccc(c1N)N AS00446 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.3 Cc1cccc(c1N)O AS05432 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.3 Cc1cccc(c1O)C AS00179 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.3 Cc1cccc(c1O)Cl AS04496 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.3 Cc1cccc(c1O)F AS05495 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.3 Cc1ccnc(c1F)Br AS04788 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.3 Cc1ccnc(c1F)Cl AS04805 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.3 c1cnc(c(c1I)Br)F AS04793 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 c1cnc(c(c1I)F)Cl AS04810 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.15 CCc1ccccc1Br AS03252 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.15 CCc1ccccc1I AS02158 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.15 CNc1ccccc1N AS04592 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.15 COc1c(cccn1)Br AS04919 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.15 COc1c(cccn1)I AS04954 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.15 COc1ccccc1Br AS02357 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.15 COc1ccccc1Cl AS02676 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.15 COc1ccccc1F AS01803 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.15 COc1ccccc1I AS02206 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.15 COc1ccccc1N AS01503 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.15 CSc1ccccc1Br AS04291 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.15 CSc1ccccc1Cl AS04287 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.15 CSc1ccccc1F AS04284 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.15 CSc1ccccc1I AS04299 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.15 CSc1ccccc1N AS04281 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.15 CSc1ccccc1O AS04298 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.15 Cc1ccccc1C=O AS02777 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.15 Cc1ccccc1CBr AS02052 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.15 Cc1ccccc1CCl AS03843 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.15 Cc1ccccc1CN AS00380 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.15 Cc1ccccc1NN AS02962 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.15 Cc1ccccc1OC AS01015 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.15 Cc1ccccc1SC AS04306 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.15 c1cc(c(nc1)C#N)F AS04724 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.69 Cc1c(ccc(n1)Br)Br AS04946 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.69 Cc1c(ccc(n1)Br)F AS04785 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.69 Cc1c(ccc(n1)Cl)F AS04817 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.69 Cc1c(ccc(n1)Cl)N AS04899 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.69 Cc1c(ccc(n1)F)Br AS04802 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.69 Cc1c(ccc(n1)N)Br AS04889 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 Cc1c(ccc(n1)N)Cl AS04695 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.69 Cc1cc(c(nc1)Br)F AS04783 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 Cc1cc(c(nc1)Cl)F AS04806 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 Cc1cc(c(nc1)F)Br AS04792 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 Cc1cc(c(nc1)F)I AS04837 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 Cc1cc(cnc1Br)F AS04784 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 Cc1cc(cnc1Cl)Br AS04923 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 Cc1cc(cnc1F)N AS04779 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 Cc1cc(cnc1N)Br AS00905 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.69 Cc1ccc(cc1Br)Br AS00135 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 Cc1ccc(cc1Br)Cl AS00104 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 Cc1ccc(cc1Br)F AS01018 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.69 Cc1ccc(cc1Br)I AS03371 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.69 Cc1ccc(cc1Br)N AS04061 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 Cc1ccc(cc1Br)O AS06517 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,1,0,0,0,0|2,0,0]=3 234 B9R1.69 Cc1ccc(cc1Cl)Br AS00171 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 Cc1ccc(cc1Cl)F AS01022 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 Cc1ccc(cc1Cl)I AS03076 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 Cc1ccc(cc1Cl)N AS03227 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 Cc1ccc(cc1F)Br AS00241 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.69 Cc1ccc(cc1F)Cl AS02759 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.69 Cc1ccc(cc1F)F AS02069 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.69 Cc1ccc(cc1F)I AS02189 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 Cc1ccc(cc1F)N AS00436 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.69 Cc1ccc(cc1F)O AS01398 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.69 Cc1ccc(cc1I)Br AS03377 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 Cc1ccc(cc1I)Cl AS03079 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 Cc1ccc(cc1I)F AS02192 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 Cc1ccc(cc1I)I AS02147 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.69 Cc1ccc(cc1I)N AS02256 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 Cc1ccc(cc1N)Br AS00457 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 Cc1ccc(cc1N)F AS00350 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.69 Cc1ccc(cc1N)I AS02328 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.69 Cc1ccc(cc1O)Br AS04653 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.69 Cc1ccc(cc1O)F AS00890 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 Cc1ccc(cc1O)N AS05434 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 Cc1ccc(cc1O)O AS06296 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 c1c(cnc(c1Br)Br)F AS04726 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 c1c(cnc(c1Br)N)Cl AS04694 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 c1c(cnc(c1Cl)Br)Cl AS04911 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 c1c(cnc(c1F)Br)F AS04717 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.69 c1c(cnc(c1F)Cl)Br AS04720 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.69 c1c(cnc(c1F)Cl)O AS04812 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 c1c(cnc(c1N)Br)F AS04715 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 c1c(cnc(c1N)N)Br AS06181 [0,1,0,0,0,0|3,0,0]=4 269 B7R1.4 Cc1cscc1Br AS06573 [0,0,0,0,1,0|3,0,0]=4 270 B7R1.4 Cc1nccn1C AS07139 [0,0,0,0,1,0|1,0,0]=2 271 B7R1.4 c1csc(c1Br)Cl AS06591 [0,0,0,0,1,0|3,0,0]=4 272 B8R1.2 COc1ccccc1 AS04310 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.2 COc1ccccc1 AS06877 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.2 COc1ccccn1 AS01009 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.2 COc1cccnc1 AS01010 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.2 CSc1ccccc1 AS04279 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.2 c1ccc(cc1)CBr AS02048 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.2 c1ccc(cc1)CO AS04466 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.3 Cc1ccc(cc1)C AS00254 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.3 Cc1ccc(cc1)F AS00305 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.3 Cc1ccc(cc1)I AS02294 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.3 Cc1ccc(cc1)N AS06931 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.3 Cc1ccc(cn1)F AS04876 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.3 Cc1ccc(nc1)F AS04850 [1,1,0,0,0,0|1,0,0]=3 286 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.3 c1cc(ncc1Br)F AS04801 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.3 c1cc(ncc1Br)I AS04928 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.3 c1cc(ncc1Br)N AS04888 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.3 c1cc(ncc1F)Br AS04782 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.3 c1cc(ncc1F)F AS04727 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.3 c1cc(ncc1F)N AS04771 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.3 c1cc(ncc1F)O AS04872 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.3 c1cc(ncc1I)F AS04841 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.3 c1cc(ncc1I)N AS02984 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.3 c1cc(ncc1N)F AS04778 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.3 c1cc(ncc1N)N AS04945 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.3 c1cc(ncc1O)F AS04834 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.4 Cc1cc(cnc1)Br AS04920 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.4 Cc1cccc(c1)Br AS03472 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.4 Cc1cccc(c1)Cl AS02842 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 Cc1cccc(c1)F AS06924 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.4 Cc1cccc(c1)I AS02293 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.4 Cc1cccc(c1)N AS06930 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.4 Cc1cccc(c1)S AS00077 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.4 Cc1cccc(n1)Br AS04907 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.4 Cc1cccc(n1)C AS04947 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.4 Cc1cccc(n1)F AS04851 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.4 Cc1ccnc(c1)Br AS04905 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.4 Cc1ccnc(c1)Cl AS04706 [1,1,0,0,0,0|2,0,0]=4 316 B8R1.4 Cc1ccnc(c1)F AS04730 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.4 c1c(cncc1Br)Cl AS04916 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.4 c1c(cncc1Br)F AS04794 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.4 c1c(cncc1Cl)F AS04819 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.4 c1c(cncc1F)F AS04885 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.4 c1cc(nc(c1)Br)F AS04787 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.4 c1cc(nc(c1)Br)O AS04913 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.4 c1cc(nc(c1)F)F AS04884 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.4 c1cnc(cc1Br)F AS04796 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.4 c1cnc(cc1F)Br AS04781 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.4 c1cnc(cc1I)Cl AS04707 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.4 c1cnc(cc1N)F AS04716 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.11 c1csc(c1CO)Br AS06498 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.2 Cc1c(cccc1Br)OC AS06891 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.2 Cc1c(cccc1Cl)OC AS02807 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.2 Cc1c(cccc1OC)N AS03263 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.2 Cc1cccc(c1C)C#N AS02593 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.2 Cc1cccc(c1C)C=O AS01456 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.2 Cc1cccc(c1C)CBr AS05971 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.2 Cc1cccc(c1C)CCl AS00713 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.2 Cc1cccc(c1C)OC AS01272 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.119 CC1=C(C(=O)C=CC1=O)C AS00236 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.119 Cc1c(c(ccc1Br)Br)C AS04140 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.119 Cc1c(c(ccc1F)Br)C AS05644 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.119 Cc1c(c(ccc1N)F)C AS05366 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.119 Cc1c(c(ccc1O)F)C AS05489 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.119 Cc1c(c(ccc1O)O)C AS00188 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.245 Cc1cccc(c1CBr)C AS02056 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.245 Cc1cccc(c1CCl)C AS00711 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.245 Cc1cccc(c1OC)C AS02543 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.245 Cc1cccc(c1OC)Cl AS04240 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.245 c1cnc(c(c1I)CO)F AS04840 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.4 CCOc1ccccc1C AS07155 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.4 Cc1ccccc1CC#N AS01367 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.20 CCc1ccccc1OC AS02573 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.20 COc1ccccc1CCl AS05988 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.20 COc1ccccc1CO AS03989 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.20 COc1ccccc1OC AS06960 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.20 COc1ccccc1SC AS04294 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.20 c1ccc(c(c1)CBr)CBr AS00651 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.20 c1ccc(c(c1)CO)CO AS05939 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.25 COc1c(cc(cn1)F)Br AS04795 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.25 COc1c(cc(cn1)F)O AS04881 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.25 COc1c(cc(cn1)N)Br AS04900 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.25 Cc1c(ccc(n1)F)C#N AS04825 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.25 Cc1cc(ccc1CN)Br AS06015 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.25 Cc1cc(ccc1CN)F AS00849 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.25 Cc1cc(ccc1CN)O AS06507 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.25 Cc1cc(ccc1CO)Br AS05952 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.25 Cc1cc(ccc1CO)F AS00602 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.25 Cc1cc(ccc1OC)Br AS03407 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.25 Cc1cc(ccc1OC)Cl AS02809 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.25 Cc1cc(ccc1OC)F AS04149 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.25 Cc1cc(ccc1OC)I AS02251 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.25 Cc1cc(ccc1OC)N AS00453 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.25 Cc1ccc(c(c1)C)CCl AS00710 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.25 Cc1ccc(c(c1)C)OC AS02541 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.30 Cc1ccc(c(c1)CCl)C AS00714 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.30 Cc1ccc(c(c1)OC)C AS02542 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.30 Cc1ccc(c(n1)OC)F AS04867 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.30 Cc1ccc(cc1CBr)F AS02060 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.30 Cc1ccc(cc1OC)Br AS03406 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.30 Cc1ccc(cc1OC)Cl AS02811 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.30 Cc1ccc(cc1OC)F AS02628 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.30 Cc1ccc(cc1OC)I AS02250 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.30 Cc1ccc(cc1OC)N AS00997 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.118 Cc1cc(c(cc1C)Br)N AS06829 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.118 Cc1cc(c(cc1C)Cl)N AS05321 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.118 Cc1cc(c(cc1C)F)C AS05755 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.118 Cc1cc(c(cc1C)N)N AS05685 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.176 Cc1c(ccc(n1)OC)Br AS04927 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.176 Cc1c(ccc(n1)OC)F AS04875 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.176 Cc1ccc(cc1C)C=O AS05590 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.176 Cc1ccc(cc1C)CCl AS00712 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.176 Cc1ccc(cc1C)CN AS06971 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.176 Cc1ccc(cc1C)CO AS00594 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.176 Cc1ccc(cc1C)NN AS07068 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.176 Cc1ccc(cc1C)OC AS02544 [0,2,0,0,0,0|2,0,0]=4