0 B11R1.3 CC(=O)c1ccc(cc1)C#N AS05151 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 CC(C)c1ccc(cc1)C#C AS06788 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.3 CC(C)c1ccc(cc1)NN AS02450 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.3 CC(C)c1ccc(cc1)OC AS01008 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.3 CC(c1ccc(cc1)OC)N AS04622 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.3 CCc1ccc(cc1)C(C)N AS00822 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 CN(C)c1ccc(cc1)C#N AS02379 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CN(C)c1ccc(cc1)C=O AS02845 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.3 CN(C)c1ccc(cc1)OC AS04610 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.3 C[C@H](c1ccc(cc1)OC)N AS04502 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 c1cc(ccc1C=O)C(=O)O AS00836 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] AS02852 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.3 CCc1ccc(cc1)OC AS02574 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.3 COc1ccc(cc1)C#N AS02378 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.3 COc1ccc(cc1)C=O AS02988 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.3 COc1ccc(cc1)CCl AS02049 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.3 COc1ccc(cc1)CN AS00371 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.3 COc1ccc(cc1)OC AS06962 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.3 COc1ccc(cc1)SC AS04296 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.3 CSc1ccc(cc1)CN AS06024 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.3 c1cc(ccc1C=O)C#N AS02996 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.3 c1cc(ccc1CBr)C#N AS00649 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.3 c1cc(ccc1CBr)CBr AS00653 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.3 c1cc(ccc1CN)C#N AS05785 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 c1cc(ccc1CO)CBr AS05951 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.3 c1cc(ccc1CO)CO AS00556 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [1,0,0,0,0,0|0,0,3]=4 28 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [1,0,0,0,0,0|0,1,0]=2 36 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 CN(C)c1ccc(cc1)Cl AS05322 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.13 CN(C)c1ccc(cc1)O AS06531 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.13 c1cc(ccc1C(F)F)Br AS05635 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.5 COC(=O)c1ccc(cc1)C=O AS06270 [0,1,0,0,0,0|1,0,1]=3 47 B12R1.6 CC(C)(C)c1ccc(cc1)C=O AS03004 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.6 CC(C)(C)c1ccc(cc1)OC AS01006 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.6 c1cc(ccc1C=O)C(F)(F)F AS01497 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.48 CC(c1ccc(c(c1)F)OC)N AS02620 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.48 c1cc(c(cc1C(=O)O)Br)C=O AS06280 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)C=O AS02992 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O AS06350 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.256 B(c1ccc(cc1)N(C)C)(O)O AS06511 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.452 CC(C)c1ccc(cc1F)OC AS02621 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.452 CC(c1ccc(cc1F)OC)N AS02619 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.452 CN(C)c1ccc(cc1F)C#N AS06487 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.452 c1cc(c(cc1C=O)F)[N+](=O)[O-] AS05599 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.4 CC(=O)Oc1ccc(cc1)C=O AS03005 [0,0,0,0,0,1|1,0,1]=3 60 B12R1.4 CC(C)Oc1ccc(cc1)C#N AS03769 [0,0,0,0,0,1|1,0,1]=3 61 B12R1.4 CC(C)Oc1ccc(cc1)C=O AS03945 [0,0,0,0,0,1|0,0,0]=1 62 B12R1.4 CC(C)Oc1ccc(cc1)CO AS04001 [0,0,0,0,0,1|0,0,2]=3 63 B12R1.4 c1cc(ccc1C=O)OC(F)F AS03097 [0,0,0,0,0,1|2,0,0]=3 64 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 C=Cc1ccc(cc1)F AS03795 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CCc1ccc(cc1)Br AS03254 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.1 CCc1ccc(cc1)F AS04424 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.1 CCc1ccc(cc1)I AS02159 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.1 CNc1ccc(cc1)I AS05390 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 COc1ccc(cc1)Br AS02358 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.1 COc1ccc(cc1)Cl AS01802 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 COc1ccc(cc1)F AS02586 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 COc1ccc(cc1)I AS02208 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.1 COc1ccc(cc1)O AS04576 [2,0,0,0,0,0|1,0,1]=4 75 B9R1.1 CSc1ccc(cc1)Br AS04293 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 CSc1ccc(cc1)Cl AS04289 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.1 CSc1ccc(cc1)F AS04286 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.1 CSc1ccc(cc1)N AS04283 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 Cc1ccc(cc1)C#N AS03761 [2,0,0,0,0,0|1,0,1]=4 80 B9R1.1 Cc1ccc(cc1)C=O AS02824 [2,0,0,0,0,0|0,0,0]=2 81 B9R1.1 Cc1ccc(cc1)CCl AS00637 [2,0,0,0,0,0|1,0,1]=4 82 B9R1.1 Cc1ccc(cc1)SC AS04302 [2,0,0,0,0,0|1,0,1]=4 83 B9R1.1 c1cc(ccc1C=O)Br AS02893 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.1 c1cc(ccc1C=O)F AS02846 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.1 c1cc(ccc1C=O)F AS03001 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.1 c1cc(ccc1C=O)I AS03916 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.1 c1cc(ccc1C=O)N AS06990 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.1 c1cc(ccc1C=O)O AS02994 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.1 c1cc(ccc1CBr)Br AS02044 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 c1cc(ccc1CBr)F AS00664 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 c1cc(ccc1CBr)I AS00645 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 c1cc(ccc1CCl)Br AS00646 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 c1cc(ccc1CCl)F AS00660 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 c1cc(ccc1CCl)F AS02054 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 c1cc(ccc1CN)Br AS02268 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 c1cc(ccc1CN)Br AS03103 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 c1cc(ccc1CN)Br AS06970 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 c1cc(ccc1CN)Cl AS00379 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 c1cc(ccc1CN)Cl AS02689 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 c1cc(ccc1CN)F AS00834 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 c1cc(ccc1CN)F AS01938 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 c1cc(ccc1CN)I AS02223 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.1 c1cc(ccc1CN)I AS02301 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.1 c1cc(ccc1CO)Br AS03954 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.1 c1cc(ccc1CO)Cl AS03965 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 c1cc(ccc1CO)F AS03978 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.1 c1cc(ccc1CO)I AS00604 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 c1cc(ccc1CO)I AS03987 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.1 c1cc(ccc1CO)N AS00548 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 c1cc(ccc1CO)O AS00576 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.1 c1cc(ncc1C=O)Br AS06180 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.83 CCOc1ccc(cc1)CO AS05972 [1,1,0,0,0,0|0,0,2]=4 115 B11R1.83 COc1ccc(cc1)CC=O AS04419 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.83 c1cc(ccc1CCO)C=O AS04409 [1,1,0,0,0,0|0,0,0]=2 117 B11R1.279 COc1ccc(c(c1)Br)C=O AS05539 [1,1,0,0,0,0|1,0,0]=3 118 B11R1.279 COc1ccc(c(c1)Cl)C=O AS05556 [1,1,0,0,0,0|1,0,0]=3 119 B11R1.279 COc1ccc(c(c1)F)C=O AS03035 [1,1,0,0,0,0|1,0,0]=3 120 B11R1.279 COc1ccc(cc1Br)C=O AS03008 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.279 COc1ccc(cc1Cl)C=O AS03845 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.279 COc1ccc(cc1Cl)C=O AS05559 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.279 COc1ccc(cc1F)C=O AS03032 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.279 COc1ccc(cc1I)C=O AS03921 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.279 Cc1cc(ccc1C=O)OC AS02210 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.279 Cc1cc(ccc1C=O)OC AS07028 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.279 Cc1cc(ccc1OC)C=O AS02783 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.279 c1cc(c(cc1C#N)Br)C=O AS06403 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.279 c1cc(c(cc1C#N)F)C=O AS02791 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.19 CC(C)(C)c1ccc(cc1)Br AS03466 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.19 CC(C)(C)c1ccc(cc1)I AS05654 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.19 CC(C)(C)c1ccc(cc1)O AS00221 [1,1,0,0,0,0|0,0,1]=3 133 B11R1.19 C[Si](C)(C)c1ccc(cc1)F AS05757 [1,1,0,0,0,0|1,1,0]=4 134 B11R1.21 CC(C)c1ccc(c(c1)Br)N AS00906 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N AS02891 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.21 CC(c1ccc(c(c1)F)F)N AS00801 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.21 Cc1ccc(cc1C)C(C)N AS00809 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.21 Cc1ccc(cc1N)C(C)C AS05395 [1,1,0,0,0,0|0,0,1]=3 139 B11R1.21 Cc1ccc(cc1O)C(C)C AS07190 [1,1,0,0,0,0|0,0,1]=3 140 B11R1.22 c1cc(ccc1C(CO)O)Br AS06515 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.166 CC(C)c1ccc(cc1O)O AS07039 [1,1,0,0,0,0|0,0,1]=3 142 B11R1.166 CC(c1ccc(cc1Cl)Cl)N AS02890 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.166 CC(c1ccc(cc1F)F)N AS00800 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.166 C[C@H](c1ccc(cc1F)Br)N AS06792 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.4 c1cc(ccc1C=O)OC(F)(F)F AS01494 [0,1,0,0,0,1|2,0,0]=4 146 B13R1.4 c1cc(ccc1C=O)SC(F)(F)F AS02780 [0,1,0,0,0,1|2,0,0]=4 147 B13R1.585 CC(C)Cc1ccc(cc1)C(=O)C AS05131 [0,1,0,0,0,1|0,0,0]=2 148 B13R1.585 CC(C)Oc1ccc(cc1)C(=O)O AS01073 [0,1,0,0,0,1|0,0,0]=2 149 B13R1.653 c1cc(c(cc1C=O)O)OC(F)F AS03099 [0,1,0,0,0,1|2,0,0]=4 150 B13R1.537 CCC(C)c1ccc(cc1)[N+](=O)[O-] AS05668 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl AS02456 [0,2,0,0,0,0|1,0,1]=4 152 B13R1.38 CC(C)(C)c1ccc(c(c1)O)C#N AS06384 [0,2,0,0,0,0|1,0,1]=4 153 B13R1.38 c1cc(c(cc1C(F)(F)F)Br)C=O AS05543 [0,2,0,0,0,0|2,0,0]=4 154 B13R1.38 c1cc(c(cc1C(F)(F)F)Cl)C=O AS05568 [0,2,0,0,0,0|2,0,0]=4 155 B13R1.38 c1cc(c(cc1C(F)(F)F)F)C=O AS01476 [0,2,0,0,0,0|2,0,0]=4 156 B13R1.96 c1cc(c(cc1C=O)Cl)C(F)(F)F AS05570 [0,2,0,0,0,0|2,0,0]=4 157 B13R1.96 c1cc(c(cc1C=O)F)C(F)(F)F AS01478 [0,2,0,0,0,0|2,0,0]=4 158 B13R1.140 CC(C)(C)c1ccc(cc1)CC#N AS02368 [0,2,0,0,0,0|1,0,1]=4 159 B13R1.140 CC(C)(C)c1ccc(cc1)CCO AS00580 [0,2,0,0,0,0|0,0,2]=4 160 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C AS05132 [0,2,0,0,0,0|0,0,0]=2 161 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F AS01196 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.338 c1cc(ccc1C(=O)Cl)C(F)(F)F AS00061 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.338 c1cc(ccc1C(=O)N)C(F)(F)F AS02442 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.338 c1cc(ccc1C(=O)O)C(F)(F)F AS00925 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.338 c1cc(ccc1C(=O)[O-])C(F)(F)F AS00784 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.120 CC(C)c1ccc(cc1Br)[N+](=O)[O-] AS05666 [0,2,0,0,0,0|1,0,0]=3 167 B13R1.120 CN(C)c1ccc(c(c1)N)[N+](=O)[O-] AS00410 [0,2,0,0,0,0|2,0,0]=4 168 B11R1.159 CC(C)c1cccc(c1F)O AS06530 [0,0,1,1,0,0|1,0,1]=4 169 B11R1.159 CC(C)c1cccc(c1O)Cl AS06587 [0,0,1,1,0,0|2,0,0]=4 170 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [1,0,0,0,0,1|1,0,0]=3 171 B11R1.20 CC(C)Oc1ccc(cc1)N AS05394 [1,0,0,0,0,1|1,0,0]=3 172 B11R1.20 CC(Oc1ccc(cc1)Br)Cl AS03451 [1,0,0,0,0,1|2,0,0]=4