0 B11R1.83 COc1ccc(cc1)CC#N AS01654 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.83 COc1ccc(cc1)CC=O AS04419 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.83 c1cc(ccc1CCO)C=O AS04409 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.1 Cc1ccc(cc1)CCN AS00487 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.1 Cc1ccc(cc1)CCO AS00590 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.1 c1cc(ccc1CC#N)Br AS01643 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 c1cc(ccc1CC#N)Cl AS01379 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 c1cc(ccc1CC#N)F AS01640 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.1 c1cc(ccc1CC#N)I AS01647 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.1 c1cc(ccc1CCBr)F AS00126 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.1 c1cc(ccc1CCBr)F AS01797 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 c1cc(ccc1CCN)Br AS06806 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 c1cc(ccc1CCN)F AS00493 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 c1cc(ccc1CCO)Br AS00568 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 c1cc(ccc1CCO)F AS00589 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.1 c1cc(ccc1CCO)N AS00567 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.1 c1cc(ccc1CCO)O AS00553 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.3 CCc1ccc(cc1)OC AS02574 [1,0,0,0,0,0|0,0,1]=2 25 B10R1.3 COc1ccc(cc1)C#N AS02378 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.3 COc1ccc(cc1)C=O AS02988 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.3 COc1ccc(cc1)CCl AS02049 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.3 COc1ccc(cc1)CN AS00371 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.3 COc1ccc(cc1)OC AS06962 [1,0,0,0,0,0|1,0,1]=3 30 B10R1.3 COc1ccc(cc1)SC AS04296 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.3 CSc1ccc(cc1)CN AS06024 [1,0,0,0,0,0|1,1,0]=3 32 B10R1.3 c1cc(ccc1C=O)C#N AS02996 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.3 c1cc(ccc1CBr)C#N AS00649 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.3 c1cc(ccc1CBr)CBr AS00653 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.3 c1cc(ccc1CN)C#N AS05785 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.3 c1cc(ccc1CO)CBr AS05951 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.3 c1cc(ccc1CO)CO AS00556 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.4 CC(=O)Nc1ccc(cc1)OC AS00987 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.4 CCc1ccc(cc1)CC(=O)C AS05185 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.4 c1cc(ccc1CC(=O)O)C#N AS06094 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.4 c1cc(ccc1CC(=O)O)CBr AS00533 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.5 COc1ccc(cc1)C(=O)CBr AS04022 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.5 COc1ccc(cc1)C(=O)CBr AS05122 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.5 COc1ccc(cc1)C(=O)CCl AS01440 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.5 COc1ccc(cc1)C(=O)NN AS01118 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.5 COc1ccc(cc1)C(=O)OC AS02499 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.114 COc1ccc(c(c1)Cl)CC#N AS06876 [0,1,0,0,0,0|1,0,1]=3 48 B12R1.114 COc1ccc(c(c1)F)CC#N AS02348 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.116 CCOc1ccc(cc1)CC#N AS06104 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.288 COc1ccc(cc1F)CC#N AS01729 [0,1,0,0,0,0|1,0,1]=3 51 B12R2.44 c1cc2c(cco2)cc1C#N AS06441 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.44 c1cc2c(cco2)cc1C=O AS06442 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.1 C=Cc1ccc(cc1)F AS03795 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.1 CCc1ccc(cc1)Br AS03254 [2,0,0,0,0,0|1,0,1]=4 56 B9R1.1 CCc1ccc(cc1)F AS04424 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.1 CCc1ccc(cc1)I AS02159 [2,0,0,0,0,0|1,0,1]=4 58 B9R1.1 CNc1ccc(cc1)I AS05390 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.1 COc1ccc(cc1)Br AS02358 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.1 COc1ccc(cc1)Cl AS01802 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.1 COc1ccc(cc1)F AS02586 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.1 COc1ccc(cc1)I AS02208 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.1 COc1ccc(cc1)O AS04576 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.1 COc1ccc(cn1)Br AS03404 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 COc1ccc(cn1)F AS04877 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 COc1ccc(nc1)Br AS04912 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 CSc1ccc(cc1)Br AS04293 [2,0,0,0,0,0|1,1,0]=4 68 B9R1.1 CSc1ccc(cc1)Cl AS04289 [2,0,0,0,0,0|1,1,0]=4 69 B9R1.1 CSc1ccc(cc1)F AS04286 [2,0,0,0,0,0|1,1,0]=4 70 B9R1.1 CSc1ccc(cc1)N AS04283 [2,0,0,0,0,0|1,1,0]=4 71 B9R1.1 Cc1ccc(cc1)C#N AS03761 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.1 Cc1ccc(cc1)C=O AS02824 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.1 Cc1ccc(cc1)CCl AS00637 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.1 Cc1ccc(cc1)SC AS04302 [2,0,0,0,0,0|0,1,0]=3 75 B9R1.1 c1cc(ccc1C#N)O AS02647 [2,0,0,0,0,0|1,0,1]=4 76 B9R1.1 c1cc(ccc1C=O)Br AS02893 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.1 c1cc(ccc1C=O)F AS02846 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.1 c1cc(ccc1C=O)F AS03001 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.1 c1cc(ccc1C=O)I AS03916 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.1 c1cc(ccc1C=O)N AS06990 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.1 c1cc(ccc1C=O)O AS02994 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.1 c1cc(ccc1CBr)Br AS02044 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.1 c1cc(ccc1CBr)F AS00664 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.1 c1cc(ccc1CBr)I AS00645 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.1 c1cc(ccc1CCl)Br AS00646 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.1 c1cc(ccc1CCl)F AS00660 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.1 c1cc(ccc1CCl)F AS02054 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.1 c1cc(ccc1CN)Br AS02268 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.1 c1cc(ccc1CN)Br AS03103 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.1 c1cc(ccc1CN)Br AS06970 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.1 c1cc(ccc1CN)Cl AS00379 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.1 c1cc(ccc1CN)Cl AS02689 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.1 c1cc(ccc1CN)F AS00834 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.1 c1cc(ccc1CN)F AS01938 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.1 c1cc(ccc1CN)I AS02223 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 c1cc(ccc1CN)I AS02301 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 c1cc(ccc1CO)Br AS03954 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 c1cc(ccc1CO)Cl AS03965 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 c1cc(ccc1CO)F AS03978 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 c1cc(ccc1CO)I AS00604 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 c1cc(ccc1CO)I AS03987 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 c1cc(ccc1CO)N AS00548 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.1 c1cc(ccc1CO)O AS00576 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.1 c1cc(ccc1OS)I AS02948 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|1,0,1]=4 108 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|1,0,1]=4 110 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|1,0,1]=4 111 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|2,0,0]=4 112 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,1,0,0,0,0|0,0,2]=4 113 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.81 CCCc1ccc(cc1O)O AS06999 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.3 CC(C)c1ccc(cc1)OC AS01008 [1,1,0,0,0,0|0,0,1]=3 121 B11R1.3 CC(c1ccc(cc1)OC)N AS04622 [1,1,0,0,0,0|0,0,1]=3 122 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.3 CCc1ccc(cc1)C(C)N AS00822 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.3 CN(C)c1ccc(cc1)C=O AS02845 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.3 CN(C)c1ccc(cc1)OC AS04610 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.3 COc1ccc(cc1)C(=O)Cl AS00015 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.3 COc1ccc(cc1)C(=O)O AS00727 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.3 COc1ccc(cc1)C(=O)O AS03913 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] AS01804 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.3 COc1ccc(cn1)C(=O)O AS01298 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.3 C[C@H](c1ccc(cc1)OC)N AS04502 [1,1,0,0,0,0|0,0,1]=3 132 B11R1.279 COc1ccc(c(c1)Br)C=O AS05539 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.279 COc1ccc(c(c1)Br)OC AS06963 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.279 COc1ccc(c(c1)Cl)C#N AS01648 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.279 COc1ccc(c(c1)Cl)C=O AS05556 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.279 COc1ccc(c(c1)F)C#N AS02602 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.279 COc1ccc(c(c1)F)C#N AS04965 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.279 COc1ccc(c(c1)F)C=O AS03035 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.279 COc1ccc(c(c1)F)CBr AS07192 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.279 COc1ccc(c(c1)F)CCl AS00667 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.279 COc1ccc(c(c1)F)CN AS02606 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.279 COc1ccc(c(c1)F)CO AS03980 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.279 COc1ccc(c(c1)F)NN AS06155 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.279 COc1ccc(c(c1)F)OC AS02400 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.279 COc1ccc(c(c1)I)C#N AS06294 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.279 COc1ccc(c(c1)O)C#N AS06261 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.279 COc1ccc(c(c1)O)OC AS06540 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.279 COc1ccc(cc1Br)C#N AS03707 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.279 COc1ccc(cc1Br)C=O AS03008 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.279 COc1ccc(cc1Br)CN AS03398 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.279 COc1ccc(cc1Br)CO AS03961 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.279 COc1ccc(cc1Cl)C#N AS03721 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.279 COc1ccc(cc1Cl)C=O AS03845 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.279 COc1ccc(cc1Cl)C=O AS05559 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.279 COc1ccc(cc1Cl)CN AS02796 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.279 COc1ccc(cc1Cl)CO AS03969 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.279 COc1ccc(cc1F)C#N AS03741 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.279 COc1ccc(cc1F)C=O AS03032 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.279 COc1ccc(cc1F)CBr AS00641 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.279 COc1ccc(cc1F)CCl AS00669 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.279 COc1ccc(cc1F)CN AS02608 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.279 COc1ccc(cc1I)C#N AS03753 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.279 COc1ccc(cc1I)C=O AS03921 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.279 COc1ccc(cc1I)CN AS02248 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.279 COc1ccc(cc1I)CO AS03988 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.279 COc1ccc(cc1O)C#N AS02385 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.279 Cc1cc(ccc1C#N)OC AS07023 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.279 Cc1cc(ccc1C=O)OC AS02210 [1,1,0,0,0,0|1,0,0]=3 169 B11R1.279 Cc1cc(ccc1C=O)OC AS07028 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.279 Cc1cc(ccc1OC)C#N AS03767 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.279 Cc1cc(ccc1OC)C=O AS02783 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.279 Cc1cc(ccc1OC)OC AS02031 [1,1,0,0,0,0|1,0,1]=4 173 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)OC AS07057 [0,2,0,0,0,0|1,0,1]=4 174 B13R1.35 COc1ccc(cc1Br)CC(=O)O AS00515 [0,2,0,0,0,0|1,0,0]=3 175 B13R1.35 COc1ccc(cc1F)CC(=O)O AS02174 [0,2,0,0,0,0|1,0,0]=3 176 B13R1.35 COc1ccc(cc1O)CC(=O)O AS00514 [0,2,0,0,0,0|1,0,0]=3 177 B13R1.142 CCCc1ccc(cc1)CC(=O)O AS02187 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.653 CC(=O)Oc1ccc(cc1Br)OC AS02338 [0,2,0,0,0,0|1,0,1]=4 179 B13R1.653 CC(=O)Oc1ccc(cc1Br)OC AS04241 [0,2,0,0,0,0|1,0,1]=4 180 B13R1.653 COc1ccc(c(c1)Br)CC(=O)O AS06082 [0,2,0,0,0,0|1,0,0]=3 181 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)O AS06088 [0,2,0,0,0,0|1,0,0]=3 182 B13R1.653 COc1ccc(c(c1)F)CC(=O)O AS01972 [0,2,0,0,0,0|1,0,0]=3 183 B13R1.452 COc1ccc(cc1)C(=O)CC#N AS01567 [0,2,0,0,0,0|1,0,1]=4 184 B13R1.3 CCc1ccc(cc1)C=CC(=O)O AS01251 [0,2,0,0,0,0|1,0,1]=4 185 B13R1.3 COc1ccc(cc1)C=CC(=O)O AS01561 [0,2,0,0,0,0|0,0,1]=3 186 B13R1.3 COc1ccc(cc1)CCC(=O)O AS04665 [0,2,0,0,0,0|0,0,1]=3 187 B13R1.371 COc1ccc(cc1)CCCCN AS07227 [0,2,0,0,0,0|0,0,2]=4 188 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [1,0,0,1,0,0|1,0,0]=3 189 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [1,0,0,1,0,0|1,0,1]=4 190 B11R2.36 c1cc(cc2c1cco2)O AS06445 [1,0,0,1,0,0|1,0,1]=4 191 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [1,0,0,1,0,0|2,0,0]=4 192 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [1,0,0,1,0,0|2,0,0]=4 193 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [1,0,0,1,0,0|2,0,0]=4 194 B11R2.36 c1cc2c(cco2)cc1F AS06429 [1,0,0,1,0,0|2,0,0]=4 195 B11R2.36 c1cc2c(ccs2)cc1Br AS06396 [1,0,0,1,0,0|2,0,0]=4 196 B13R2.2121 COc1ccc2c(c1)nc(s2)N AS07103 [0,1,0,1,0,0|2,0,0]=4 197 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC AS06058 [0,1,0,1,0,0|1,0,0]=3 198 B13R2.654 COc1cc2ccoc2c(c1)Br AS06422 [0,1,0,1,0,0|1,0,0]=3