0 B9R1.8 c1ccc(cc1)CC#N AS01366 [0,0,0,1,0,0|2,0,1]=4 1 B9R1.8 c1ccc(cc1)CCCl AS00650 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.8 c1ccc(cc1)CCN AS00484 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.8 c1ccc(cc1)CCO AS00558 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.8 c1ccc(cc1)CON AS04494 [0,0,0,1,0,0|3,0,0]=4 5 B9R1.8 c1ccnc(c1)CCCl AS04932 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.15 CCc1ccccc1Br AS03252 [0,0,0,1,0,0|1,0,1]=3 7 B9R1.15 CCc1ccccc1I AS02158 [0,0,0,1,0,0|1,0,1]=3 8 B9R1.15 CNc1ccccc1N AS04592 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.15 COc1ccccc1Br AS02357 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.15 COc1ccccc1Cl AS02676 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.15 COc1ccccc1F AS01803 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.15 COc1ccccc1I AS02206 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.15 COc1ccccc1N AS01503 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.15 CSc1ccccc1Br AS04291 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.15 CSc1ccccc1Cl AS04287 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.15 CSc1ccccc1F AS04284 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.15 CSc1ccccc1I AS04299 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.15 CSc1ccccc1N AS04281 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.15 CSc1ccccc1O AS04298 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.15 Cc1ccccc1C=O AS02777 [0,0,0,1,0,0|0,0,2]=3 21 B9R1.15 Cc1ccccc1CBr AS02052 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.15 Cc1ccccc1CCl AS03843 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.15 Cc1ccccc1CN AS00380 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.15 Cc1ccccc1OC AS01015 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.15 Cc1ccccc1SC AS04306 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 COc1ccccc1 AS04310 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.2 COc1ccccc1 AS06877 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.2 COc1ccccn1 AS01009 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 CSc1ccccc1 AS04279 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.2 c1ccc(cc1)CBr AS02048 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.2 c1ccc(cc1)CO AS04466 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.5 Cc1ccccc1Br AS03471 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.5 Cc1ccccc1F AS00300 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.5 Cc1ccccc1I AS02292 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.5 Cc1ccccc1N AS01510 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.5 Cc1ccccc1O AS00217 [1,0,0,1,0,0|0,0,2]=4 63 B10R1.10 CCNc1cccc(c1)Cl AS02454 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.10 CCOc1cccc(c1)Br AS03447 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.10 CCOc1cccc(c1)Cl AS02832 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.10 CCOc1cccc(c1)F AS02637 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.10 CCOc1cccc(c1)I AS02281 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.10 CNCc1cccc(c1)Br AS06618 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.10 COCc1cccc(c1)Br AS03401 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.10 Cc1cccc(c1)CCO AS00588 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.10 c1cc(cc(c1)Br)CCO AS04438 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.10 c1cc(cc(c1)Cl)CCO AS00585 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.10 c1cc(cc(c1)F)CCBr AS01798 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.10 c1cc(cc(c1)F)CCN AS00492 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.10 c1cc(cc(c1)F)CCO AS01801 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.10 c1cc(cc(c1)O)CCO AS06800 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.61 CC(C)c1ccccc1Br AS05661 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.61 CC(c1ccccc1Br)N AS03460 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.61 CC(c1ccccc1Br)O AS03463 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.61 CC(c1ccccc1Cl)N AS02835 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.61 CC(c1ccccc1Cl)O AS02837 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.61 CC(c1ccccc1F)N AS00852 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.61 CC(c1ccccc1F)O AS00893 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.25 Cc1cc(ccc1C=O)Br AS03007 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.25 Cc1cc(ccc1C=O)Cl AS06678 [0,1,0,1,0,0|0,0,2]=4 88 B10R1.25 Cc1cc(ccc1C=O)F AS01471 [0,1,0,1,0,0|0,0,2]=4 89 B10R1.25 Cc1cc(ccc1C=O)O AS05602 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.245 CCc1c(cccc1O)N AS06592 [0,1,0,1,0,0|0,0,2]=4 91 B10R1.245 Cc1cccc(c1C=O)C AS02875 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.245 Cc1cccc(c1C=O)Cl AS04631 [0,1,0,1,0,0|0,0,2]=4 93 B10R1.245 Cc1cccc(c1C=O)F AS04975 [0,1,0,1,0,0|0,0,2]=4 94 B10R1.245 Cc1cccc(c1C=O)O AS06354 [0,1,0,1,0,0|0,0,2]=4 95 B10R1.4 CCOc1ccccc1Br AS03446 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.4 CCOc1ccccc1C AS07155 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.4 CCOc1ccccc1F AS02636 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.4 CCOc1ccccc1N AS01513 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.4 COCc1ccccc1Br AS03400 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.4 COCc1ccccc1Br AS03402 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.17 CCCOc1ccccc1 AS01111 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.17 c1ccc(cc1)CCCBr AS03468 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.17 c1ccc(cc1)NCCO AS00460 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.17 c1ccc(cc1)OCCBr AS03452 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.30 CCc1cc(ccc1Br)Br AS03545 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.30 CCc1cc(ccc1Cl)Br AS03142 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.30 CCc1cc(ccc1Cl)O AS02715 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.30 CCc1cc(ccc1F)O AS06528 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.30 CCc1cc(ccc1I)Br AS03256 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.30 CCc1cc(ccc1N)Br AS03251 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.30 CCc1cc(ccc1N)Br AS05294 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.30 Cc1ccc(cc1C=O)Br AS05540 [0,1,0,1,0,0|0,0,2]=4 118 B10R1.30 Cc1ccc(cc1C=O)F AS01473 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.20 CCc1ccccc1C=O AS04433 [0,1,0,1,0,0|0,0,1]=3 120 B10R1.20 CCc1ccccc1OC AS02573 [0,1,0,1,0,0|0,0,2]=4 121 B10R1.1 CCOc1ccc(cc1)Br AS03448 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.1 CCOc1ccc(cc1)F AS02638 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.1 CCOc1ccc(cc1)I AS02282 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.1 Cc1ccc(cc1)CCN AS00487 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.1 Cc1ccc(cc1)CCO AS00590 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.1 c1cc(ccc1CCBr)F AS00126 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.1 c1cc(ccc1CCBr)F AS01797 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.1 c1cc(ccc1CCN)Br AS06806 [0,1,0,1,0,0|2,0,0]=4 132 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.1 c1cc(ccc1CCN)F AS00493 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.1 c1cc(ccc1CCO)Br AS00568 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.1 c1cc(ccc1CCO)F AS00589 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.1 c1cc(ccc1CCO)N AS00567 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.1 c1cc(ccc1CCO)O AS00553 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.2 CCc1cccc(c1F)O AS06529 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.2 CCc1cccc(c1O)Cl AS06547 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.2 Cc1c(cccc1Cl)C=O AS05563 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.2 Cc1c(cccc1F)C=O AS01468 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.2 Cc1cccc(c1C)C=O AS01456 [0,1,0,1,0,0|0,0,2]=4 144 B10R1.15 CC(CBr)c1ccccc1 AS03467 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.15 CCC(C)c1ccccc1 AS05667 [0,1,0,1,0,0|1,0,0]=3 147 B10R1.172 COc1cccc(c1)C=O AS02843 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.172 c1cc(cc(c1)C=O)CBr AS04511 [0,1,0,1,0,0|1,0,1]=4