0 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 COc1ccccc1 AS04310 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 COc1ccccc1 AS06877 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.2 COc1ccccn1 AS01009 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.2 COc1cccnc1 AS01010 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 COc1ccncc1 AS04953 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 CSc1ccccc1 AS04279 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 c1ccc(cc1)C#N AS02370 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.2 c1ccc(cc1)CBr AS02048 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.2 c1ccc(cc1)CO AS04466 [1,0,0,0,0,0|1,0,2]=4 15 B8R1.2 c1ccc(cc1)N=O AS01444 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [0,1,0,0,0,0|1,0,2]=4 29 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.13 CN(C)c1ccc(cc1)Cl AS05322 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.13 CN(C)c1ccc(cc1)O AS06531 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.13 Cc1ccc(cc1)C(=O)Cl AS00020 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] AS01013 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 c1cc(ccc1C(=O)Cl)I AS00009 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] AS00442 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br AS05660 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.13 c1cc(ccc1[N+](=O)[O-])F AS00083 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.13 c1cc(ccc1[N+](=O)[O-])O AS00220 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 c1cc(ncc1C(=O)O)F AS04828 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 c1cc(ncc1Cl)C(=O)O AS04938 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.13 c1cc(ncc1F)C(=O)O AS04870 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.15 CC(CBr)c1ccccc1 AS03467 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.15 CCC(C)c1ccccc1 AS05667 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.61 CC(=O)c1ccccc1Br AS01164 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.61 CC(=O)c1ccccc1F AS01129 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.61 CC(=O)c1ccccc1I AS03911 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.61 CC(=O)c1ccccc1O AS01159 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.61 CC(C)c1ccccc1Br AS05661 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.61 CC(c1ccccc1Br)N AS03460 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.61 CC(c1ccccc1Br)O AS03463 [0,1,0,0,0,0|1,0,2]=4 78 B10R1.61 CC(c1ccccc1Cl)N AS02835 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.61 CC(c1ccccc1Cl)O AS02837 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.61 CC(c1ccccc1F)N AS00852 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.61 CC(c1ccccc1F)O AS00893 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.61 CN(C)c1ccccc1F AS05364 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.61 Cc1ccccc1[N+](=O)[O-] AS00108 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.61 c1cc(c(nc1)F)C(=O)O AS04848 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.61 c1ccc(c(c1)C(=O)Cl)I AS00019 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.61 c1ccc(c(c1)C(=O)N)Br AS00918 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.61 c1ccc(c(c1)C(=O)N)Cl AS02678 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.61 c1ccc(c(c1)C(=O)N)F AS00829 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.61 c1ccc(c(c1)C(=O)N)I AS02212 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.61 c1ccc(c(c1)C(=O)[O-])F AS00773 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] AS01504 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br AS03439 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS01522 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS04477 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS05721 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I AS02273 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.113 CC(=O)c1cccc(c1)Br AS01168 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.113 CC(=O)c1cccc(c1)Cl AS03831 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.113 CC(=O)c1cccc(c1)F AS01151 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.113 CC(=O)c1cccc(c1)I AS04040 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.113 CC(=O)c1cccc(c1)O AS01139 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.113 CC(C)c1cccc(c1)Br AS05658 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.113 CC(C)c1cccc(n1)Br AS06182 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.113 CC(c1cccc(c1)Br)N AS03461 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.113 CC(c1cccc(c1)Br)O AS03464 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.113 CC(c1cccc(c1)Cl)O AS02838 [0,1,0,0,0,0|1,0,2]=4 112 B10R1.113 CC(c1cccc(c1)F)N AS00853 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.113 CC(c1cccc(c1)F)N AS06027 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.113 CC(c1cccc(c1)F)O AS00894 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.113 Cc1cccc(c1)C(=O)C AS04042 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.113 Cc1cccc(c1)C(=O)Cl AS01364 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.113 Cc1cccc(c1)C(=O)O AS00863 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.113 c1c(cncc1F)C(=O)O AS04871 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl AS00012 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.113 c1cc(cc(c1)Br)C(=O)N AS00919 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.113 c1cc(cc(c1)Br)C(=O)O AS01127 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] AS03440 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl AS00014 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.113 c1cc(cc(c1)Cl)C(=O)N AS02679 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.113 c1cc(cc(c1)Cl)C(=O)O AS00810 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.113 c1cc(cc(c1)F)C(=O)N AS00830 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.113 c1cc(cc(c1)F)C(=O)O AS00742 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.113 c1cc(cc(c1)F)C(=O)O AS01279 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] AS00777 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] AS00426 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] AS04480 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.113 c1cc(cc(c1)I)C(=O)Cl AS00024 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.113 c1cc(cc(c1)I)C(=O)N AS02213 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.113 c1cc(cc(c1)I)C(=O)O AS02217 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] AS02274 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.113 c1cc(cc(c1)N)C(=O)N AS05882 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.113 c1cc(cc(c1)N)C(=O)O AS00862 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] AS00219 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N AS01505 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AS04933 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.113 c1cc(nc(c1)F)C(=O)O AS04829 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.113 c1cnc(cc1C(=O)O)F AS04827 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.7 c1nc([nH]n1)C(=O)O AS00569 [0,0,0,0,1,0|3,0,0]=4 144 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,0,0,0,0,1|1,0,2]=4 145 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [0,0,0,0,0,1|2,0,0]=3 146 B7R1.3 c1ccc(cc1)I AS02214 [2,0,0,0,0,0|2,0,0]=4 147 B7R1.3 c1ccc(cc1)I AS04509 [2,0,0,0,0,0|2,0,0]=4 148 B7R1.3 c1ccc(cc1)S AS04135 [2,0,0,0,0,0|1,1,0]=4 149 B7R1.3 c1ccnc(c1)Cl AS06184 [2,0,0,0,0,0|1,0,0]=3 150 B7R1.3 c1ccnc(c1)F AS04826 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [1,1,0,0,0,0|1,0,1]=4 152 B9R1.1 C=Cc1ccc(cc1)F AS03795 [1,1,0,0,0,0|1,0,1]=4 153 B9R1.1 CCc1ccc(cc1)Br AS03254 [1,1,0,0,0,0|1,0,1]=4 154 B9R1.1 CCc1ccc(cc1)F AS04424 [1,1,0,0,0,0|1,0,1]=4 155 B9R1.1 CCc1ccc(cc1)I AS02159 [1,1,0,0,0,0|1,0,1]=4 156 B9R1.1 CNc1ccc(cc1)I AS05390 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.1 COc1ccc(cc1)Br AS02358 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.1 COc1ccc(cc1)Cl AS01802 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.1 COc1ccc(cc1)F AS02586 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.1 COc1ccc(cc1)I AS02208 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.1 COc1ccc(cc1)O AS04576 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.1 COc1ccc(cn1)Br AS03404 [1,1,0,0,0,0|1,0,0]=3 163 B9R1.1 COc1ccc(cn1)F AS04877 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.1 CSc1ccc(cc1)Br AS04293 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.1 CSc1ccc(cc1)Cl AS04289 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.1 CSc1ccc(cc1)F AS04286 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.1 CSc1ccc(cc1)N AS04283 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.1 Cc1ccc(cc1)C=O AS02824 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.1 Cc1ccc(cc1)SC AS04302 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.1 Cc1ccc(nc1)C#N AS04709 [1,1,0,0,0,0|1,0,1]=4 171 B9R1.1 c1cc(ccc1C=O)Br AS02893 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.1 c1cc(ccc1C=O)F AS02846 [1,1,0,0,0,0|1,0,0]=3 174 B9R1.1 c1cc(ccc1C=O)F AS03001 [1,1,0,0,0,0|1,0,0]=3 175 B9R1.1 c1cc(ccc1C=O)I AS03916 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.1 c1cc(ccc1C=O)N AS06990 [1,1,0,0,0,0|1,0,0]=3 177 B9R1.1 c1cc(ccc1C=O)O AS02994 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.1 c1cc(ncc1Br)C#N AS04632 [1,1,0,0,0,0|1,0,1]=4 179 B9R1.1 c1cc(ncc1C=O)Br AS06180 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.2 C=Cc1cccc(c1)Br AS03805 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.2 C=Cc1cccc(c1)F AS03775 [1,1,0,0,0,0|1,0,1]=4 182 B9R1.2 CCc1cccc(c1)Br AS03253 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.2 CCc1cccc(c1)N AS00465 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.2 CCc1cccc(c1)O AS04468 [1,1,0,0,0,0|1,0,1]=4 185 B9R1.2 CNc1cccc(c1)O AS06505 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.2 COc1cc(ccn1)Br AS04921 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.2 COc1cccc(c1)Br AS04314 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.2 COc1cccc(c1)Cl AS02677 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.2 COc1cccc(c1)F AS02585 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.2 COc1cccc(c1)I AS02207 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.2 COc1cccc(c1)N AS01512 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.2 COc1cccc(c1)O AS00218 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.2 COc1cccc(c1)S AS00080 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.2 COc1cccc(n1)Br AS04908 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.2 CSc1cccc(c1)Br AS04292 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.2 CSc1cccc(c1)Cl AS04288 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.2 CSc1cccc(c1)F AS04285 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.2 CSc1cccc(c1)I AS04300 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.2 CSc1cccc(c1)N AS04282 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.2 Cc1cccc(c1)C=O AS02785 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.2 Cc1cccc(c1)OC AS01016 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.2 Cc1cccc(c1)SC AS04308 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.2 c1cc(cc(c1)Br)C=O AS02864 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.2 c1cc(cc(c1)Cl)C=O AS02776 [1,1,0,0,0,0|1,0,0]=3 205 B9R1.2 c1cc(cc(c1)F)C=O AS03000 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.2 c1cc(cc(c1)I)C=O AS03915 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [1,1,0,0,0,0|0,0,2]=4 208 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,1,0,0,0,0|1,0,1]=4 209 B9R1.8 c1ccc(cc1)CCN AS00484 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.8 c1ccc(cc1)CCO AS00558 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.8 c1ccc(cc1)N=C=O AS04076 [1,1,0,0,0,0|1,0,1]=4 212 B9R1.8 c1ccnc(c1)CCCl AS04932 [1,1,0,0,0,0|0,0,1]=3 213 B9R1.15 C=Cc1ccccc1Br AS03804 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.15 C=Cc1ccccc1F AS03294 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.15 CCc1ccccc1Br AS03252 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.15 CCc1ccccc1I AS02158 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.15 CNc1ccccc1N AS04592 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.15 COc1c(cccn1)Br AS04919 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.15 COc1c(cccn1)I AS04954 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.15 COc1ccccc1Br AS02357 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.15 COc1ccccc1Cl AS02676 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.15 COc1ccccc1F AS01803 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.15 COc1ccccc1I AS02206 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.15 COc1ccccc1N AS01503 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.15 CSc1ccccc1Br AS04291 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.15 CSc1ccccc1Cl AS04287 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.15 CSc1ccccc1F AS04284 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.15 CSc1ccccc1I AS04299 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.15 CSc1ccccc1N AS04281 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.15 CSc1ccccc1O AS04298 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.15 Cc1ccccc1C=O AS02777 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 Cc1ccccc1OC AS01015 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.15 Cc1ccccc1SC AS04306 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.15 c1cc(c(nc1)C#N)F AS04724 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.11 COC(=O)c1c[nH]nc1 AS07234 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,1,0,0,0,1|1,0,0]=3 243 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [0,1,0,0,0,1|1,0,0]=3 244 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [0,1,0,0,0,1|1,0,0]=3 245 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [0,1,0,0,0,1|1,0,0]=3 248 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [0,1,0,0,0,1|1,0,0]=3 249 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [0,1,0,0,0,1|1,0,0]=3 250 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.40 c1ccc(cc1)NC(=O)CBr AS00910 [0,1,0,0,0,1|1,0,0]=3 258 B11R1.40 c1ccc(cc1)NC(=O)CCl AS02673 [0,1,0,0,0,1|1,0,0]=3 259 B11R1.40 c1ccc(cc1)NC(=O)CF AS00823 [0,1,0,0,0,1|1,0,0]=3 260 B11R1.86 CC(=O)Cc1ccccc1Br AS05236 [0,1,0,0,0,1|1,0,0]=3 261 B11R1.86 CC(=O)Nc1ccccc1I AS02199 [0,1,0,0,0,1|1,0,0]=3 262 B11R1.86 CC(=O)Nc1ccccc1O AS00888 [0,1,0,0,0,1|1,0,0]=3 263 B11R1.86 CC(=O)Oc1ccccc1Br AS02339 [0,1,0,0,0,1|1,0,0]=3 264 B11R1.86 CC(=O)Oc1ccccc1F AS02345 [0,1,0,0,0,1|1,0,0]=3 265 B11R1.86 CC(=O)Oc1ccccc1I AS02979 [0,1,0,0,0,1|1,0,0]=3 266 B11R1.86 Cc1ccccc1NC(=O)C AS00877 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [0,1,0,0,0,1|2,0,0]=4 270 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [0,1,0,0,0,1|2,0,0]=4 271 B11R1.157 CC(=O)Cc1cccc(c1)Cl AS05237 [0,1,0,0,0,1|1,0,0]=3 272 B11R1.157 CC(=O)Nc1cccc(c1)Br AS00911 [0,1,0,0,0,1|1,0,0]=3 273 B11R1.157 CC(=O)Nc1cccc(c1)Cl AS02674 [0,1,0,0,0,1|1,0,0]=3 274 B11R1.157 CC(=O)Nc1cccc(c1)F AS00824 [0,1,0,0,0,1|1,0,0]=3 275 B11R1.157 CC(=O)Nc1cccc(c1)I AS02200 [0,1,0,0,0,1|1,0,0]=3 276 B11R1.157 CC(=O)Nc1cccc(c1)O AS00889 [0,1,0,0,0,1|1,0,0]=3 277 B11R1.157 CC(=O)Oc1cccc(c1)Br AS02340 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.157 CC(=O)Oc1cccc(c1)Cl AS02343 [0,1,0,0,0,1|1,0,0]=3 279 B11R1.157 CC(=O)Oc1cccc(c1)F AS02346 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.157 Cc1cccc(c1)CC(=O)O AS00531 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.157 Cc1cccc(c1)NC(=O)C AS00878 [0,1,0,0,0,1|1,0,0]=3 282 B11R1.157 Cc1cccc(c1)OC(=O)C AS01252 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AS00508 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N AS06809 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AS05023 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.157 c1cc(cc(c1)F)CC(=O)O AS00520 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.157 c1cc(cc(c1)I)CC(=O)O AS00542 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.3 CC(=O)c1ccc(cc1)C#N AS05151 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.3 COc1ccc(cc1)C(=O)Cl AS00015 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.3 COc1ccc(cc1)C(=O)O AS00727 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.3 COc1ccc(cc1)C(=O)O AS03913 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.3 c1cc(ccc1C(=O)O)NN AS06885 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.3 c1cc(ccc1C(=O)O)NN AS06946 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.3 c1cc(ccc1C=O)C(=O)O AS00836 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.3 c1cc(ccc1CBr)C(=O)O AS00835 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.3 c1cc(ccc1CCl)C(=O)O AS00731 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.3 c1cc(ccc1CN)C(=O)O AS06858 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br AS03854 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl AS05101 [0,2,0,0,0,0|1,0,0]=3 301 B11R1.21 CC(=O)c1ccc(c(c1)Br)F AS01132 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.21 CC(=O)c1ccc(c(c1)Br)N AS05067 [0,2,0,0,0,0|1,0,0]=3 303 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl AS03863 [0,2,0,0,0,0|1,0,0]=3 304 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F AS01148 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O AS05145 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.21 CC(=O)c1ccc(c(c1)F)Br AS05111 [0,2,0,0,0,0|1,0,0]=3 307 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl AS01173 [0,2,0,0,0,0|1,0,0]=3 308 B11R1.21 CC(=O)c1ccc(c(c1)F)F AS01192 [0,2,0,0,0,0|1,0,0]=3 309 B11R1.21 CC(=O)c1ccc(c(c1)F)N AS01172 [0,2,0,0,0,0|1,0,0]=3 310 B11R1.21 CC(=O)c1ccc(c(c1)F)O AS01203 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl AS05249 [0,2,0,0,0,0|1,0,0]=3 312 B11R1.21 CC(=O)c1ccc(c(c1)N)F AS04017 [0,2,0,0,0,0|1,0,0]=3 313 B11R1.21 CC(=O)c1ccc(c(c1)O)F AS03881 [0,2,0,0,0,0|1,0,0]=3 314 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS03824 [0,2,0,0,0,0|1,0,0]=3 315 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS05124 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.21 Cc1cc(ccc1Br)C(=O)N AS03423 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.21 Cc1cc(ccc1Br)C(=O)O AS02483 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.21 Cc1cc(ccc1Cl)C(=O)C AS03848 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.21 Cc1cc(ccc1Cl)C(=O)N AS02813 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.21 Cc1cc(ccc1Cl)C(=O)O AS00788 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.21 Cc1cc(ccc1F)C(=O)C AS05267 [0,2,0,0,0,0|1,0,0]=3 322 B11R1.21 Cc1cc(ccc1F)C(=O)Cl AS00026 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.21 Cc1cc(ccc1F)C(=O)O AS01875 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.21 Cc1cc(ccc1I)C(=O)N AS02260 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.21 Cc1cc(ccc1I)C(=O)O AS02265 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.21 Cc1cc(ccc1N)C(=O)O AS01122 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.21 Cc1cc(ccc1O)C(=O)C AS04503 [0,2,0,0,0,0|1,0,0]=3 328 B11R1.21 Cc1cc(ccc1O)C(=O)O AS00899 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.21 Cc1ccc(cc1Br)C(=O)C AS03823 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.21 Cc1ccc(cc1Br)C(=O)N AS03422 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.21 Cc1ccc(cc1Br)C(=O)O AS02482 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.21 Cc1ccc(cc1C)C(=O)C AS03873 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.21 Cc1ccc(cc1C)C(=O)O AS00741 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.21 Cc1ccc(cc1Cl)C(=O)O AS00790 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.21 Cc1ccc(cc1F)C(=O)C AS05187 [0,2,0,0,0,0|1,0,0]=3 336 B11R1.21 Cc1ccc(cc1F)C(=O)O AS02484 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.21 Cc1ccc(cc1I)C(=O)C AS03923 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.21 Cc1ccc(cc1I)C(=O)N AS02259 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.21 Cc1ccc(cc1I)C(=O)O AS02264 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.21 Cc1ccc(cc1O)C(=O)C AS05196 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.21 Cc1ccc(cc1O)C(=O)O AS01294 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F AS00045 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F AS00038 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F AS00035 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl AS02860 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.21 c1cc(c(cc1C(=O)N)F)F AS00797 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br AS03516 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl AS00750 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AS00969 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS03364 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS04475 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.21 c1cc(c(cc1C(=O)O)Br)N AS00983 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl AS00789 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F AS00963 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N AS00982 [0,2,0,0,0,0|2,0,0]=4 356 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AS00972 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl AS02731 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.21 c1cc(c(cc1C(=O)O)F)F AS00851 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.21 c1cc(c(cc1C(=O)O)F)N AS00977 [0,2,0,0,0,0|2,0,0]=4 360 B11R1.21 c1cc(c(cc1C(=O)O)F)O AS01857 [0,2,0,0,0,0|2,0,0]=4 361 B11R1.21 c1cc(c(cc1C(=O)O)I)Br AS06467 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl AS06466 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS02183 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS06468 [0,2,0,0,0,0|2,0,0]=4 365 B11R1.21 c1cc(c(cc1C(=O)O)I)I AS06469 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.21 c1cc(c(cc1C(=O)O)N)Br AS00868 [0,2,0,0,0,0|2,0,0]=4 367 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl AS00844 [0,2,0,0,0,0|2,0,0]=4 368 B11R1.21 c1cc(c(cc1C(=O)O)N)F AS00976 [0,2,0,0,0,0|2,0,0]=4 369 B11R1.21 c1cc(c(cc1C(=O)O)N)N AS04450 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.21 c1cc(c(cc1C(=O)O)N)O AS00843 [0,2,0,0,0,0|2,0,0]=4 371 B11R1.21 c1cc(c(cc1C(=O)O)O)Br AS06643 [0,2,0,0,0,0|2,0,0]=4 372 B11R1.21 c1cc(c(cc1C(=O)O)O)F AS01859 [0,2,0,0,0,0|2,0,0]=4 373 B11R1.21 c1cc(c(cc1C(=O)O)O)N AS00858 [0,2,0,0,0,0|2,0,0]=4 374 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F AS00781 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.21 c1cc(nc(c1Br)Br)C(=O)O AS04713 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.21 c1cc(nc(c1Br)Cl)C(=O)O AS04701 [0,2,0,0,0,0|1,0,0]=3 377 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O AS04712 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.21 c1cc(nc(c1F)Br)C(=O)O AS04718 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AS04721 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.22 CCC(=O)c1ccc(cc1)Br AS03828 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.22 CCC(=O)c1ccc(cc1)Cl AS03849 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.22 CCC(=O)c1ccc(cc1)F AS03904 [0,2,0,0,0,0|1,0,0]=3 383 B11R1.22 COC(=O)c1ccc(cc1)Br AS03617 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.22 COC(=O)c1ccc(cc1)Cl AS02923 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.22 COC(=O)c1ccc(cc1)F AS01318 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.22 COC(=O)c1ccc(cc1)I AS02318 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.22 COC(=O)c1ccc(cc1)O AS01626 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.22 Cc1ccc(cc1)C(=O)CN AS05091 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.22 Cc1ccc(cc1)C(=O)OC AS01339 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.22 c1cc(ccc1C(=O)CBr)Br AS05097 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.22 c1cc(ccc1C(=O)CBr)Cl AS01180 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.22 c1cc(ccc1C(=O)CBr)I AS05120 [0,2,0,0,0,0|1,0,0]=3 393 B11R1.22 c1cc(ccc1C(=O)CBr)N AS05064 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS04020 [0,2,0,0,0,0|1,0,0]=3 395 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS05102 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.22 c1cc(ccc1C(=O)CCl)Cl AS05154 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.22 c1cc(ccc1C(=O)CCl)O AS05143 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.22 c1cc(ccc1C(=O)CN)Br AS05065 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.22 c1cc(ccc1C(=O)CN)Cl AS05073 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.22 c1cc(ccc1C(=O)CN)F AS05082 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.22 c1cc(ccc1C(=O)NN)Br AS00928 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.22 c1cc(ccc1C(=O)NN)Cl AS02684 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.22 c1cc(ccc1C(=O)NN)F AS00306 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.22 c1cc(ccc1C(=O)NN)I AS02957 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.22 c1cc(ccc1C(=O)NN)O AS00896 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.166 CC(=O)c1ccc(cc1Br)Br AS03852 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01149 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01174 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.166 CC(=O)c1ccc(cc1Br)N AS05248 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.166 CC(=O)c1ccc(cc1Br)O AS05117 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl AS03861 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.166 CC(=O)c1ccc(cc1Cl)F AS04025 [0,2,0,0,0,0|1,0,0]=3 413 B11R1.166 CC(=O)c1ccc(cc1Cl)N AS05072 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05144 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05258 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.166 CC(=O)c1ccc(cc1F)Br AS01131 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.166 CC(=O)c1ccc(cc1F)Cl AS04005 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.166 CC(=O)c1ccc(cc1F)F AS01190 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.166 CC(=O)c1ccc(cc1F)O AS01200 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.166 CC(=O)c1ccc(cc1N)F AS06564 [0,2,0,0,0,0|1,0,0]=3 421 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.166 Cc1cc(ccc1C(=O)C)Cl AS05148 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.166 Cc1cc(ccc1C(=O)C)F AS01144 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.166 Cc1cc(ccc1C(=O)C)F AS03900 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.166 Cc1cc(ccc1C(=O)C)O AS04594 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl AS00021 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N AS05890 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl AS00047 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl AS00041 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl AS00048 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl AS00039 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl AS00033 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.166 c1cc(c(cc1F)F)C(=O)N AS00796 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] AS00779 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.16 CCOC(=O)c1ccccn1 AS01278 [0,2,0,0,0,0|0,0,0]=2 477 B11R1.16 c1ccc(cc1)C(=O)CCN AS05234 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.16 c1ccc(cc1)C(=O)N=C=O AS04369 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.16 c1ccc(cc1)C(=O)N=C=S AS00355 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.23 CCC(=O)c1cccc(c1)Br AS03827 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.23 CCC(=O)c1cccc(c1)C AS07217 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.23 CCC(=O)c1cccc(c1)N AS05233 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.23 CCC(=O)c1cccc(c1)O AS05242 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.23 CNC(=O)c1cccc(c1)N AS06601 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.23 COC(=O)c1cc(ccn1)Br AS04714 [0,2,0,0,0,0|0,0,0]=2 486 B11R1.23 COC(=O)c1cccc(c1)Br AS03616 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.23 COC(=O)c1cccc(c1)I AS02317 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.23 COC(=O)c1ccnc(c1)Br AS04445 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.23 Cc1cccc(c1)C(=O)OC AS02466 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr AS05096 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.23 c1cc(cc(c1)Br)C(=O)NN AS00927 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr AS05100 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl AS05153 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN AS02683 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO AS04620 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.23 c1cc(cc(c1)F)C(=O)CCl AS04006 [0,2,0,0,0,0|1,0,0]=3 497 B11R1.23 c1cc(cc(c1)F)C(=O)NN AS02956 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.23 c1cc(cc(c1)O)C(=O)CBr AS05116 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.23 c1cc(cc(c1)O)C(=O)CCl AS05142 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.23 c1cc(cc(c1)O)C(=O)NN AS00901 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.222 CCC(=O)c1ccccc1Cl AS06723 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.222 COC(=O)c1ccccc1Br AS03615 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.222 COC(=O)c1ccccc1Cl AS00094 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.222 COC(=O)c1ccccc1F AS01317 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.222 COC(=O)c1ccccc1I AS02316 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.222 COC(=O)c1ccccc1N AS01236 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl AS05099 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.222 c1ccc(c(c1)C(=O)CBr)F AS05110 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.222 c1ccc(c(c1)C(=O)CN)Br AS05062 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl AS05070 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.222 c1ccc(c(c1)C(=O)CN)F AS05081 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.222 c1ccc(c(c1)C(=O)NN)Br AS00926 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl AS02682 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.222 c1ccc(c(c1)C(=O)NN)F AS02953 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.222 c1ccc(c(c1)C(=O)NN)O AS00900 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.53 CC(=O)c1ccccc1OC AS05203 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.53 c1ccc(c(c1)C#N)C(=O)O AS00846 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.53 c1ccc(c(c1)C(=O)O)NN AS04612 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.53 c1ccc(c(c1)CCl)C(=O)O AS00738 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.156 CC(=O)c1c(cccc1Cl)Cl AS04032 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.156 CC(=O)c1c(cccc1Cl)Cl AS05155 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.156 CC(=O)c1c(cccc1Cl)F AS05137 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.156 CC(=O)c1c(cccc1F)F AS01189 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.156 CC(=O)c1c(cccc1F)O AS01204 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.156 Cc1cccc(c1C(=O)O)C AS00752 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.156 Cc1cccc(c1C(=O)O)Cl AS00924 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.156 Cc1cccc(c1C(=O)O)F AS00945 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.156 Cc1cccc(c1C(=O)O)N AS00734 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl AS03129 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F AS01799 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N AS00804 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)Cl AS00029 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.156 c1cc(c(c(c1)Cl)C(=O)Cl)F AS00040 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl AS00751 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F AS00966 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N AS00733 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.156 c1cc(c(c(c1)F)C(=O)Cl)F AS00034 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F AS05891 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F AS00819 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N AS00980 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O AS01855 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.156 c1cc(c(c(c1)F)C(=O)[O-])F AS00783 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.156 c1cc(c(c(c1)I)C(=O)Cl)F AS01862 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.156 c1cc(c(c(c1)I)C(=O)N)Cl AS05888 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F AS00149 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O AS04461 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.159 CC(=O)c1cccc(c1Br)Br AS07165 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.159 CC(=O)c1cccc(c1Br)F AS01175 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.159 CC(=O)c1cccc(c1Cl)F AS01143 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.159 CC(=O)c1cccc(c1F)Br AS01156 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.159 CC(=O)c1cccc(c1F)Cl AS05138 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.159 CC(=O)c1cccc(c1F)F AS01188 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.159 CC(=O)c1cccc(c1N)Cl AS05071 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.159 CC(=O)c1cccc(c1O)Br AS05118 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.159 CC(=O)c1cccc(c1O)N AS05085 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.159 Cc1c(cccc1Br)C(=O)O AS00770 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.159 Cc1c(cccc1Cl)C(=O)O AS02815 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.159 Cc1c(cccc1F)C(=O)O AS01872 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.159 Cc1c(cccc1I)C(=O)O AS02263 [0,2,0,0,0,0|2,0,0]=4 560 B11R1.159 Cc1c(cccc1N)C(=O)O AS00871 [0,2,0,0,0,0|2,0,0]=4 561 B11R1.159 Cc1cccc(c1Br)C(=O)N AS03421 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.159 Cc1cccc(c1Br)C(=O)O AS03424 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.159 Cc1cccc(c1C)C(=O)C AS01169 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.159 Cc1cccc(c1C)C(=O)N AS00808 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.159 Cc1cccc(c1C)C(=O)O AS01852 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.159 Cc1cccc(c1C)C(=O)O AS06831 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.159 Cc1cccc(c1Cl)C(=O)C AS03847 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.159 Cc1cccc(c1Cl)C(=O)N AS02812 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.159 Cc1cccc(c1Cl)C(=O)O AS02814 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.159 Cc1cccc(c1F)C(=O)O AS01870 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.159 Cc1cccc(c1I)C(=O)N AS02258 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.159 Cc1cccc(c1I)C(=O)O AS02261 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.159 Cc1cccc(c1N)C(=O)C AS05090 [0,2,0,0,0,0|1,0,0]=3 574 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O AS03130 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N AS03285 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O AS01800 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AS00988 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.159 c1cc(c(c(c1)Cl)Br)C(=O)O AS06341 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)Cl AS00030 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O AS00737 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)Cl AS00044 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AS01827 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O AS00973 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O AS00964 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.159 c1cc(c(c(c1)F)F)C(=O)Cl AS00037 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N AS00795 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O AS00860 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O AS00974 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.159 c1cc(c(c(c1)F)N)C(=O)N AS05884 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS00981 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS01538 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AS01856 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O AS06843 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O AS00148 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O AS01775 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N AS06874 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O AS00805 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O AS06314 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O AS06486 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.167 CC(=O)c1cc(ccc1Br)Br AS03853 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.167 CC(=O)c1cc(ccc1Br)F AS04021 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.167 CC(=O)c1cc(ccc1Cl)Br AS01133 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.167 CC(=O)c1cc(ccc1Cl)Br AS03788 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl AS03862 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.167 CC(=O)c1cc(ccc1Cl)F AS05136 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.167 CC(=O)c1cc(ccc1F)Br AS05112 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.167 CC(=O)c1cc(ccc1F)F AS01191 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.167 CC(=O)c1cc(ccc1F)N AS05083 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.167 CC(=O)c1cc(ccc1F)O AS05186 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.167 CC(=O)c1cc(ccc1I)F AS04405 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.167 CC(=O)c1cc(ccc1I)F AS07228 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.167 CC(=O)c1cc(ccc1N)Br AS05066 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.167 CC(=O)c1cc(ccc1O)Br AS01134 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.167 CC(=O)c1cc(ccc1O)Cl AS03839 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.167 CC(=O)c1cc(ccc1O)F AS01202 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.167 CC(=O)c1cc(ccc1O)N AS05086 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.167 CC(=O)c1cc(ccc1O)O AS05179 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.167 Cc1ccc(c(c1)C(=O)C)F AS01155 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F AS00025 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.167 Cc1ccc(c(c1)C(=O)N)N AS05885 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br AS03425 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.167 Cc1ccc(c(c1)C(=O)O)C AS00745 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl AS00923 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.167 Cc1ccc(c(c1)C(=O)O)F AS01871 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.167 Cc1ccc(c(c1)C(=O)O)I AS02262 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.167 Cc1ccc(c(c1)C(=O)O)N AS00870 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.167 Cc1ccc(cc1C(=O)C)F AS01179 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.167 Cc1ccc(cc1C(=O)O)Br AS03427 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.167 Cc1ccc(cc1C(=O)O)Cl AS02816 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.167 Cc1ccc(cc1C(=O)O)F AS02485 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.167 Cc1ccc(cc1C(=O)O)F AS05000 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.167 Cc1ccc(cc1C(=O)O)I AS00855 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.167 Cc1ccc(cc1C(=O)O)N AS01782 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.167 Cc1ccc(cc1C(=O)O)O AS06485 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.167 c1cc(c(cc1Br)C(=O)N)Br AS03511 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.167 c1cc(c(cc1Br)C(=O)N)Cl AS03125 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.167 c1cc(c(cc1Br)C(=O)N)I AS03359 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br AS03515 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl AS00872 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl AS03133 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AS03291 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.167 c1cc(c(cc1Br)C(=O)O)I AS00873 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.167 c1cc(c(cc1Br)C(=O)O)N AS00984 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.167 c1cc(c(cc1Br)C(=O)O)O AS03670 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.167 c1cc(c(cc1Cl)C(=O)Cl)F AS00043 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl AS02859 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br AS00799 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl AS00768 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AS02960 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I AS00876 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N AS01120 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Br AS00049 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.167 c1cc(c(cc1F)C(=O)Cl)Cl AS00042 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.167 c1cc(c(cc1F)C(=O)Cl)F AS00036 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AS00971 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AS00967 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.167 c1cc(c(cc1F)C(=O)O)F AS00859 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.167 c1cc(c(cc1F)C(=O)O)I AS01863 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.167 c1cc(c(cc1F)C(=O)O)N AS00978 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.167 c1cc(c(cc1F)C(=O)O)O AS01286 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F AS00774 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.167 c1cc(c(cc1I)C(=O)N)Cl AS03059 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.167 c1cc(c(cc1I)C(=O)N)O AS02195 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.167 c1cc(c(cc1I)C(=O)O)Br AS03363 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl AS03065 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.167 c1cc(c(cc1I)C(=O)O)F AS02181 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.167 c1cc(c(cc1I)C(=O)O)I AS02131 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.167 c1cc(c(cc1I)C(=O)O)N AS02983 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.167 c1cc(c(cc1I)C(=O)O)O AS02197 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.167 c1cc(c(cc1N)C(=O)O)Br AS01769 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl AS01771 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.167 c1cc(c(cc1N)C(=O)O)F AS00979 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.167 c1cc(c(cc1O)C(=O)O)F AS01285 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.167 c1cc(c(cc1O)C(=O)O)O AS04641 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O AS04440 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AS04698 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AS03855 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br AS04031 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl AS03864 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AS04026 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F AS05139 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.74 CC(=O)c1cc(cc(c1)F)F AS01193 [0,2,0,0,0,0|1,0,0]=3 683 B11R1.74 CC(=O)c1cc(cc(c1)I)Br AS03817 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.74 Cc1cc(cc(c1)C(=O)C)C AS01136 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C AS06253 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AS01873 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.74 Cc1cc(cc(c1)F)C(=O)O AS04998 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.74 Cc1cc(cc(c1)N)C(=O)O AS04423 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.74 c1c(cc(cc1Br)Br)C(=O)O AS03517 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.74 c1c(cc(cc1Br)I)C(=O)N AS03358 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.74 c1c(cc(cc1Br)I)C(=O)O AS03365 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)N AS03124 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.74 c1c(cc(cc1Cl)Br)C(=O)O AS03131 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl AS00031 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N AS02861 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O AS00758 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.74 c1c(cc(cc1Cl)I)C(=O)N AS03060 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.74 c1c(cc(cc1Cl)I)C(=O)O AS03066 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.74 c1c(cc(cc1F)Br)C(=O)Cl AS00046 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.74 c1c(cc(cc1F)Br)C(=O)N AS03286 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.74 c1c(cc(cc1F)Br)C(=O)O AS03289 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O AS00968 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.74 c1c(cc(cc1F)F)C(=O)Cl AS00032 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.74 c1c(cc(cc1F)F)C(=O)O AS00842 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] AS00782 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.74 c1c(cc(cc1F)I)C(=O)O AS02182 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.74 c1c(cc(cc1I)I)C(=O)N AS02128 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.74 c1c(cc(cc1I)I)C(=O)O AS02132 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.74 c1c(cc(cc1N)Br)C(=O)[O-] AS06920 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.74 c1c(cc(cc1N)Cl)C(=O)O AS04635 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.74 c1c(cc(cc1N)F)C(=O)O AS00156 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.74 c1c(cc(cc1O)Br)C(=O)O AS06301 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.74 c1c(cc(cc1O)I)C(=O)O AS06357 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.74 c1c(cc(cc1O)O)C(=O)N AS06636 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.266 CC(=O)c1cccc(c1)C#N AS01138 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.266 CC(=O)c1cccc(c1)CCl AS06810 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.266 CCc1cccc(c1)C(=O)C AS05184 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.266 COc1cccc(c1)C(=O)O AS00759 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N AS07200 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.266 c1cc(cc(c1)C(=O)O)CCl AS00739 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.266 c1cc(nc(c1)C(=O)N)CO AS06190 [0,2,0,0,0,0|1,0,0]=3 722 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,0,0,0,1,0|0,0,1]=3 723 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,0,0,0,0,2|1,0,0]=3 724 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,0,0,0,0,2|1,0,0]=3 725 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,0,0,0,0,2|2,0,0]=4