0 B10R1.17 CCCOc1ccccc1 AS01111 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.17 c1ccc(cc1)CCCBr AS03468 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 c1ccc(cc1)NCCO AS00460 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 c1ccc(cc1)OCCBr AS03452 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 c1ccc(cc1)CC#N AS01366 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 c1ccc(cc1)CCN AS00484 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.8 c1ccc(cc1)CCO AS00558 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 c1ccc(cc1)CON AS04494 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1ccc(cc1)N=C=O AS04076 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 c1ccc(cc1)N=C=S AS04391 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 c1ccnc(c1)CCCl AS04932 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.1 CCCCc1ccc(cc1)I AS02288 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.1 CCCCc1ccc(cc1)I AS02333 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.1 COCCc1ccc(cc1)O AS00207 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.1 c1cc(ccc1CN=C=O)F AS06152 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.1 c1cc(ccc1CN=C=S)F AS04366 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.1 c1cc(ccc1OCCBr)Cl AS04621 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.1 c1cc(ccc1OCCBr)F AS03327 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.16 c1ccc(cc1)C(=O)CCN AS05234 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.17 CCCOc1ccccc1F AS00939 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.24 CCCOc1cccc(c1)F AS00940 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.24 c1cc(cc(c1)Br)OCCBr AS03105 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.24 c1cc(cc(c1)Cl)OCCBr AS05649 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.24 c1cc(cc(c1)F)CN=C=O AS04384 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.24 c1cc(cc(c1)O)CCCO AS06749 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.28 CCCCOc1ccccc1 AS01104 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.2 COc1ccccc1 AS04310 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 COc1ccccc1 AS06877 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 COc1ccccn1 AS01009 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 COc1cccnc1 AS01010 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 COc1ccncc1 AS04953 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 CSc1ccccc1 AS04279 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 c1ccc(cc1)C#N AS02370 [2,0,0,0,0,0|0,0,2]=4 43 B8R1.2 c1ccc(cc1)CBr AS02048 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.2 c1ccc(cc1)CO AS04466 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 c1ccc(cc1)N=O AS01444 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.1 CCOc1ccc(cc1)Br AS03448 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 CCOc1ccc(cc1)F AS02638 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.1 CCOc1ccc(cc1)I AS02282 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [1,1,0,0,0,0|0,0,2]=4 50 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.1 Cc1ccc(cc1)CCN AS00487 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.1 Cc1ccc(cc1)CCO AS00590 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.1 c1cc(ccc1CC#N)Br AS01643 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.1 c1cc(ccc1CC#N)Cl AS01379 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.1 c1cc(ccc1CC#N)F AS01640 [1,1,0,0,0,0|0,0,2]=4 57 B10R1.1 c1cc(ccc1CC#N)I AS01647 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.1 c1cc(ccc1CCBr)F AS00126 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.1 c1cc(ccc1CCBr)F AS01797 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.1 c1cc(ccc1CCN)Br AS06806 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.1 c1cc(ccc1CCN)F AS00493 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.1 c1cc(ccc1CCO)Br AS00568 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 c1cc(ccc1CCO)F AS00589 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.1 c1cc(ccc1CCO)N AS00567 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.1 c1cc(ccc1CCO)O AS00553 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.4 CCOc1ccccc1Br AS03446 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.4 CCOc1ccccc1C AS07155 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.4 CCOc1ccccc1F AS02636 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.4 CCOc1ccccc1N AS01513 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.4 COCc1ccccc1Br AS03400 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.4 COCc1ccccc1Br AS03402 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.4 Cc1ccccc1CC#N AS01367 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.4 c1ccc(c(c1)CC#N)Br AS01641 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.4 c1ccc(c(c1)CC#N)F AS01388 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.4 c1ccc(c(c1)CC#N)I AS01645 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.4 c1ccc(c(c1)CC#N)N AS06069 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.10 CCNc1cccc(c1)Cl AS02454 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.10 CCOc1cccc(c1)Br AS03447 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.10 CCOc1cccc(c1)Cl AS02832 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.10 CCOc1cccc(c1)F AS02637 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.10 CCOc1cccc(c1)I AS02281 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.10 CNCc1cccc(c1)Br AS06618 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.10 COCc1cccc(c1)Br AS03401 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.10 Cc1cccc(c1)CC#N AS01378 [1,1,0,0,0,0|0,0,2]=4 94 B10R1.10 Cc1cccc(c1)CCO AS00588 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.10 c1cc(cc(c1)Br)CC#N AS01951 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.10 c1cc(cc(c1)Br)CCO AS04438 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.10 c1cc(cc(c1)Cl)CC#N AS01360 [1,1,0,0,0,0|0,0,2]=4 98 B10R1.10 c1cc(cc(c1)Cl)CCO AS00585 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.10 c1cc(cc(c1)F)CC#N AS01971 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.10 c1cc(cc(c1)F)CCBr AS01798 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.10 c1cc(cc(c1)F)CCN AS00492 [1,1,0,0,0,0|0,0,0]=2 102 B10R1.10 c1cc(cc(c1)F)CCO AS01801 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.10 c1cc(cc(c1)I)CC#N AS01646 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.10 c1cc(cc(c1)N)CC#N AS06070 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.10 c1cc(cc(c1)O)CCO AS06800 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.10 c1cc(cc(c1)O)CNN AS06645 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.15 CC(CBr)c1ccccc1 AS03467 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.15 CCC(=O)c1ccccc1 AS01141 [1,1,0,0,0,0|0,0,1]=3 109 B10R1.15 CCC(C)c1ccccc1 AS05667 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.1 CCCCCc1ccc(cc1)Br AS00629 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.1 c1cc(ccc1OCCCBr)F AS03330 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.49 COC(=O)Cc1ccc(cc1)O AS06110 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.69 CCCCc1ccc(cc1O)O AS07002 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.69 CCCOc1ccc(cc1F)Br AS03331 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.71 CCCOc1ccc(cc1)C#C AS06594 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.71 CCCOc1ccc(cc1)C#N AS03768 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.71 CCCOc1ccc(cc1)C=O AS03944 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.71 CCCOc1ccc(cc1)CO AS04000 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N AS06722 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.267 CCCCOc1ccccc1F AS02639 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.28 CCCCOc1cccc(c1)F AS02640 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.28 c1cc(cc(c1)Br)OCCCBr AS03108 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.50 COC(=O)Cc1cccc(c1)F AS06105 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.50 COC(=O)Cc1cccc(c1)N AS04587 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.50 COC(=O)Cc1cccc(c1)N AS06071 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.100 CCCCc1cc(cc(c1)F)F AS04515 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.8 CCCCCOc1ccccc1 AS01110 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.8 c1ccc(cc1)COCCC=O AS05243 [0,2,0,0,0,0|1,0,1]=4 140 B12R1.8 c1ccc(cc1)COCCCO AS03951 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.8 c1ccc(cc1)OCCCCBr AS03450 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.8 c1ccc(cc1)OCCCCI AS02285 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.252 CC(=O)OCCc1ccccc1 AS02439 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.252 c1ccc(cc1)COCC(=O)O AS06202 [0,2,0,0,0,0|2,0,0]=4 146 B12R2.132 Cn1c2cc(ccc2nn1)Br AS06401 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AS06821 [0,1,0,1,0,0|0,0,0]=2 148 B12R2.1081 c1cc2c(c(c1)N)CCCC2 AS02443 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AS06210 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.196 Cn1cnc2c1cccc2Br AS06203 [0,1,0,1,0,0|1,0,1]=4 151 B12R2.612 Cn1c2ccc(cc2nn1)Br AS06400 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.612 Cn1ccc2c1ccc(c2)N AS07117 [0,1,0,1,0,0|0,0,2]=4 153 B12R2.612 Cn1cnc2c1ccc(c2)Br AS06493 [0,1,0,1,0,0|1,0,1]=4 154 B12R2.612 Cn1cnc2c1ccc(c2)F AS07072 [0,1,0,1,0,0|1,0,1]=4 155 B12R2.612 c1cc2c(cc1Cl)CCC2=O AS04658 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.18 c1ccc2c(c1)CC(C2O)Br AS03960 [0,1,0,1,0,0|2,0,0]=4