0 B11R1.17 CCCOc1ccccc1F AS00939 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.4 CCOc1ccccc1Br AS03446 [1,0,0,0,0,0|1,1,0]=3 2 B10R1.4 CCOc1ccccc1C AS07155 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.4 CCOc1ccccc1F AS02636 [1,0,0,0,0,0|1,1,0]=3 4 B10R1.4 CCOc1ccccc1N AS01513 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 COCc1ccccc1Br AS03400 [1,0,0,0,0,0|1,1,0]=3 6 B10R1.4 COCc1ccccc1Br AS03402 [1,0,0,0,0,0|1,1,0]=3 7 B10R1.4 Cc1ccccc1CC#N AS01367 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.4 c1ccc(c(c1)CC#N)Br AS01641 [1,0,0,0,0,0|0,1,2]=4 9 B10R1.4 c1ccc(c(c1)CC#N)F AS01388 [1,0,0,0,0,0|0,1,2]=4 10 B10R1.4 c1ccc(c(c1)CC#N)I AS01645 [1,0,0,0,0,0|0,1,2]=4 11 B10R1.4 c1ccc(c(c1)CC#N)N AS06069 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [1,0,0,0,0,0|1,1,0]=3 13 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [1,0,0,0,0,0|0,1,0]=2 14 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [1,0,0,0,0,0|1,1,0]=3 15 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [1,0,0,0,0,0|1,1,0]=3 17 B10R1.4 c1ccc(c(c1)N=C=O)Cl AS04125 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CCCOc1ccccc1 AS01111 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 c1ccc(cc1)CCCBr AS03468 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 c1ccc(cc1)OCCBr AS03452 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.69 CCCCc1ccc(cc1O)O AS07002 [0,1,0,0,0,0|2,0,0]=3 24 B12R1.69 CCCOc1ccc(cc1F)Br AS03331 [0,1,0,0,0,0|2,1,0]=4 25 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [0,1,0,0,0,0|2,1,0]=4 27 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [0,1,0,0,0,0|2,1,0]=4 28 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [0,1,0,0,0,0|2,1,0]=4 29 B12R1.267 CCCCOc1ccccc1F AS02639 [0,1,0,0,0,0|1,1,0]=3 30 B12R1.308 CCOC(=O)c1ccccc1Cl AS02900 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl AS01389 [0,1,0,0,0,0|2,0,1]=4 32 B12R2.41 c1ccc2c(c1)CCNCC2 AS06230 [0,0,0,1,0,0|1,0,0]=2 33 B12R2.196 Cn1cnc2c1cccc2Br AS06203 [0,0,0,1,0,0|1,1,1]=4 34 B12R2.1081 c1cc2c(c(c1)N)CCCC2 AS02443 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 c1ccnc(c1)CCCl AS04932 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 CCc1ccccc1Br AS03252 [2,0,0,0,0,0|0,1,0]=3 42 B9R1.15 CCc1ccccc1I AS02158 [2,0,0,0,0,0|0,1,0]=3 43 B9R1.15 CNc1ccccc1N AS04592 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.15 COc1ccccc1Br AS02357 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.15 COc1ccccc1Cl AS02676 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 COc1ccccc1F AS01803 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.15 COc1ccccc1I AS02206 [2,0,0,0,0,0|1,1,0]=4 48 B9R1.15 COc1ccccc1N AS01503 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 COc1ccncc1Cl AS04708 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 CSc1ccccc1Br AS04291 [2,0,0,0,0,0|1,1,0]=4 51 B9R1.15 CSc1ccccc1Cl AS04287 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.15 CSc1ccccc1F AS04284 [2,0,0,0,0,0|1,1,0]=4 53 B9R1.15 CSc1ccccc1I AS04299 [2,0,0,0,0,0|1,1,0]=4 54 B9R1.15 CSc1ccccc1N AS04281 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 CSc1ccccc1O AS04298 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 Cc1ccccc1CBr AS02052 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 Cc1ccccc1CCl AS03843 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 Cc1ccccc1CN AS00380 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.15 Cc1ccccc1NN AS02962 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 Cc1ccccc1OC AS01015 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 Cc1ccccc1SC AS04306 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 c1ccc(c(c1)C#N)Cl AS03713 [2,0,0,0,0,0|0,0,2]=4 63 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [2,0,0,0,0,0|1,1,0]=4 64 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [2,0,0,0,0,0|1,1,0]=4 66 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [2,0,0,0,0,0|1,1,0]=4 67 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [2,0,0,0,0,0|1,1,0]=4 68 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [2,0,0,0,0,0|0,1,0]=3 69 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [2,0,0,0,0,0|0,1,0]=3 70 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [2,0,0,0,0,0|0,0,0]=2 71 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [2,0,0,0,0,0|0,0,0]=2 72 B9R1.15 c1ccc(c(c1)CN)F AS00832 [2,0,0,0,0,0|0,1,0]=3 73 B9R1.15 c1ccc(c(c1)CN)F AS01936 [2,0,0,0,0,0|0,1,0]=3 74 B9R1.15 c1ccc(c(c1)CN)I AS02221 [2,0,0,0,0,0|0,1,0]=3 75 B9R1.15 c1ccc(c(c1)CN)I AS02299 [2,0,0,0,0,0|0,1,0]=3 76 B9R1.15 c1ccc(c(c1)CN)N AS06598 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [2,0,0,0,0,0|1,1,0]=4 78 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.15 c1ccc(c(c1)CO)F AS03976 [2,0,0,0,0,0|1,1,0]=4 80 B9R1.15 c1ccc(c(c1)CO)I AS03985 [2,0,0,0,0,0|1,1,0]=4 81 B9R1.15 c1ccc(c(c1)CO)N AS00575 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 c1ccc(c(c1)CO)O AS00547 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [2,0,0,0,0,0|1,1,0]=4 84 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.15 c1ccc(c(c1)NN)F AS02017 [2,0,0,0,0,0|1,1,0]=4 86 B9R1.15 c1ccc(c(c1)NN)F AS02959 [2,0,0,0,0,0|1,1,0]=4 87 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N AS01668 [1,1,0,0,0,0|0,0,2]=4 88 B11R1.41 CCOc1ccccc1C#N AS02393 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.41 CCOc1ccccc1OC AS02564 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.41 c1ccc(c(c1)CCBr)C=O AS06680 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.81 CCCc1ccc(cc1O)O AS06999 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.81 CCOc1ccc(cc1Cl)F AS02749 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.81 CCOc1ccc(cc1F)Cl AS02753 [1,1,0,0,0,0|1,1,0]=4 94 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N AS01670 [1,1,0,0,0,0|0,0,2]=4 95 B11R1.81 c1cc(c(cc1Cl)Cl)CCO AS00584 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.81 c1cc(c(cc1F)Cl)CC#N AS01678 [1,1,0,0,0,0|0,0,2]=4 97 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [1,1,0,0,0,0|0,1,1]=4 98 B11R1.86 CC(C)Oc1ccccc1Br AS03456 [1,1,0,0,0,0|1,1,0]=4 99 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.182 CCOc1cc(ccc1Br)N AS01553 [1,1,0,0,0,0|1,1,0]=4 101 B11R1.182 CCOc1cc(ccc1Cl)F AS02750 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.182 CCOc1cc(ccc1F)Cl AS02755 [1,1,0,0,0,0|1,1,0]=4 103 B11R1.182 Cc1ccc(c(c1)CCO)C AS00587 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl AS01671 [1,1,0,0,0,0|0,0,2]=4 105 B11R1.182 c1cc(c(cc1Cl)CCN)Cl AS00491 [1,1,0,0,0,0|0,0,0]=2 106 B11R1.182 c1cc(c(cc1Cl)CCO)Cl AS00592 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.182 c1cc(c(cc1F)CC#N)Cl AS01702 [1,1,0,0,0,0|0,0,2]=4 108 B11R1.222 CCC(=O)c1ccccc1Cl AS06723 [1,1,0,0,0,0|0,0,1]=3 109 B11R1.222 CCC(C)c1ccccc1N AS05311 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.222 COC(=O)c1ccccc1Cl AS00094 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl AS05099 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.222 c1ccc(c(c1)C(=O)CN)Br AS05062 [1,1,0,0,0,0|0,1,1]=4 113 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl AS05070 [1,1,0,0,0,0|0,0,1]=3 114 B11R1.222 c1ccc(c(c1)C(=O)CN)F AS05081 [1,1,0,0,0,0|0,1,1]=4 115 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl AS02682 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl AS01962 [1,1,0,0,0,0|0,0,2]=4 117 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.1 CCCCc1ccc(cc1)I AS02288 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.1 CCCCc1ccc(cc1)I AS02333 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.24 CCCOc1cccc(c1)F AS00940 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.24 c1cc(cc(c1)O)CCCO AS06749 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.28 CCCCOc1ccccc1 AS01104 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [1,1,0,0,0,0|0,0,2]=4 125 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,1,0,0,0,0|2,0,0]=4 129 B13R1.528 COC(=O)CCc1ccccc1Br AS06126 [0,2,0,0,0,0|1,1,0]=4 130 B13R1.555 CCCCCOc1ccccc1F AS00937 [0,2,0,0,0,0|1,1,0]=4 131 B11R2.106 c1cc2c(c(c1)F)CCN2 AS06054 [1,0,0,1,0,0|0,1,0]=3 132 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,1,0,1,0,0|2,0,0]=4