0 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 c1ccc2c(c1)c(no2)Cl AS06286 [0,0,0,0,0,0|1,0,0]=1 2 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [0,0,0,0,0,0|0,0,0]=0 3 B10R2.7 c1cc2cc[nH]c2nc1 AS07114 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.18 c1ccc2c(c1)CC(C2O)Br AS03960 [0,1,0,0,0,0|2,0,1]=4 5 B12R2.132 Cn1c2cc(ccc2nn1)Br AS06401 [0,1,0,0,0,0|3,0,0]=4 6 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 AS06367 [0,1,0,0,0,0|1,0,1]=3 7 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AS06459 [0,1,0,0,0,0|1,0,1]=3 8 B12R2.132 c1cc2c(cc1F)C(=O)CO2 AS06458 [0,1,0,0,0,0|1,0,1]=3 9 B12R2.612 Cn1c2ccc(cc2nn1)Br AS06400 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.612 c1cc2c(cc1Br)COC2=O AS07099 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.612 c1cc2c(cc1Br)OCC2=O AS06368 [0,1,0,0,0,0|1,0,1]=3 12 B12R2.612 c1cc2c(cc1Br)onc2Cl AS06283 [0,1,0,0,0,0|1,0,0]=2 13 B12R2.612 c1cc2c(cc1Cl)CCC2=O AS04658 [0,1,0,0,0,0|2,0,1]=4 14 B12R2.612 c1cc2c(cc1Cl)OCC2=O AS06461 [0,1,0,0,0,0|1,0,1]=3 15 B12R2.612 c1cc2c(cc1Cl)onc2O AS06205 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.612 c1cc2c(cc1F)OCC2=O AS06460 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.612 c1cc2c(cc1O)OCC2=O AS06432 [0,1,0,0,0,0|1,0,1]=3 18 B12R2.2028 c1ccc2c(c1)C(=O)OI2O AS06644 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.15 C=CC(=O)c1ccccc1 AS07048 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,0,1,0,0,0|2,0,1]=4 21 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [0,0,1,0,0,0|1,0,0]=2 22 B10R1.15 c1ccc(cc1)C(=O)C#N AS04664 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [0,0,1,0,0,0|1,0,2]=4 26 B10R1.17 CCCOc1ccccc1 AS01111 [0,0,1,0,0,0|2,0,1]=4 27 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [0,0,1,0,0,0|2,0,1]=4 28 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [0,0,1,0,0,0|1,1,1]=4 29 B10R1.17 c1ccc(cc1)NCCO AS00460 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.17 c1ccc(cc1)OCCBr AS03452 [0,0,1,0,0,0|2,0,1]=4 31 B10R1.20 CCc1ccccc1C=O AS04433 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.20 CCc1ccccc1OC AS02573 [0,0,1,0,0,0|2,0,1]=4 33 B10R1.20 COc1ccccc1CCl AS05988 [0,0,1,0,0,0|2,0,1]=4 34 B10R1.20 COc1ccccc1CO AS03989 [0,0,1,0,0,0|1,0,1]=3 35 B10R1.20 COc1ccccc1NN AS02474 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.20 COc1ccccc1NN AS06157 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.20 COc1ccccc1OC AS06960 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.20 COc1ccccc1SC AS04294 [0,0,1,0,0,0|3,0,0]=4 39 B10R1.20 c1ccc(c(c1)C=O)C=O AS03002 [0,0,1,0,0,0|2,0,1]=4 40 B10R1.20 c1ccc(c(c1)CO)C#N AS02592 [0,0,1,0,0,0|1,0,2]=4 41 B10R1.20 c1ccc(c(c1)CO)CO AS05939 [0,0,1,0,0,0|2,0,1]=4 42 B10R1.61 B(c1ccccc1Br)(O)O AS04470 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.61 CC(=O)c1ccccc1Br AS01164 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.61 CC(=O)c1ccccc1F AS01129 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.61 CC(=O)c1ccccc1I AS03911 [0,0,1,0,0,0|2,0,1]=4 47 B10R1.61 CC(=O)c1ccccc1O AS01159 [0,0,1,0,0,0|1,0,1]=3 48 B10R1.61 CC(c1ccccc1Br)O AS03463 [0,0,1,0,0,0|2,0,1]=4 49 B10R1.61 CC(c1ccccc1Cl)O AS02837 [0,0,1,0,0,0|2,0,1]=4 50 B10R1.61 CC(c1ccccc1F)O AS00893 [0,0,1,0,0,0|2,0,1]=4 51 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [0,0,1,0,0,0|1,0,2]=4 52 B10R1.61 c1cc(c(nc1)F)C(=O)O AS04848 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.61 c1ccc(c(c1)C(=O)Cl)I AS00019 [0,0,1,0,0,0|2,0,1]=4 54 B10R1.61 c1ccc(c(c1)C(=O)N)Br AS00918 [0,0,1,0,0,0|1,0,2]=4 55 B10R1.61 c1ccc(c(c1)C(=O)N)Cl AS02678 [0,0,1,0,0,0|1,0,2]=4 56 B10R1.61 c1ccc(c(c1)C(=O)N)F AS00829 [0,0,1,0,0,0|1,0,2]=4 57 B10R1.61 c1ccc(c(c1)C(=O)N)I AS02212 [0,0,1,0,0,0|1,0,2]=4 58 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [0,0,1,0,0,0|2,0,0]=3 59 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [0,0,1,0,0,0|2,0,0]=3 60 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [0,0,1,0,0,0|2,0,0]=3 61 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [0,0,1,0,0,0|2,0,0]=3 62 B10R1.61 c1ccc(c(c1)C(=O)[O-])F AS00773 [0,0,1,0,0,0|2,0,1]=4 63 B12R2.24 Cc1nc2ccccc2nn1 AS06650 [0,0,0,0,0,1|2,0,0]=3 64 B12R2.24 c1ccc2cc(ccc2c1)Br AS02431 [0,0,0,0,0,1|3,0,0]=4 65 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AS06210 [0,0,0,0,0,1|1,0,1]=3 66 B12R2.1081 c1ccc2c(c1)cccc2Cl AS02472 [0,0,0,0,0,1|3,0,0]=4 67 B12R2.1081 c1ccc2c(c1)cccc2F AS02917 [0,0,0,0,0,1|3,0,0]=4 68 B12R2.1081 c1ccc2c(c1)cccc2I AS06208 [0,0,0,0,0,1|3,0,0]=4 69 B12R2.1081 c1ccc2c(c1)cccc2N AS02473 [0,0,0,0,0,1|3,0,0]=4 70 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [1,0,1,0,0,0|1,0,1]=4 72 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [1,0,1,0,0,0|0,0,1]=3 73 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [1,0,1,0,0,0|0,0,2]=4 74 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.8 c1ccc(cc1)CCO AS00558 [1,0,1,0,0,0|1,0,1]=4 76 B9R1.8 c1ccc(cc1)N=C=O AS04076 [1,0,1,0,0,0|0,0,2]=4 77 B9R1.8 c1ccc(cc1)N=C=S AS04391 [1,0,1,0,0,0|0,1,1]=4 78 B9R1.15 C=Cc1ccccc1Br AS03804 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.15 C=Cc1ccccc1F AS03294 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.15 COc1ccccc1Br AS02357 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.15 COc1ccccc1Cl AS02676 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.15 COc1ccccc1F AS01803 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.15 COc1ccccc1I AS02206 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.15 COc1ccccc1N AS01503 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.15 CSc1ccccc1O AS04298 [1,0,1,0,0,0|1,1,0]=4 86 B9R1.15 Cc1ccccc1C=O AS02777 [1,0,1,0,0,0|1,0,1]=4 87 B9R1.15 Cc1ccccc1OC AS01015 [1,0,1,0,0,0|1,0,1]=4 88 B9R1.15 c1ccc(c(c1)C#N)O AS02648 [1,0,1,0,0,0|0,0,2]=4 89 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [1,0,1,0,0,0|1,0,1]=4 90 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [1,0,1,0,0,0|1,0,1]=4 91 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [1,0,1,0,0,0|1,0,1]=4 92 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [1,0,1,0,0,0|0,0,2]=4 93 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [1,0,1,0,0,0|0,0,1]=3 94 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [1,0,1,0,0,0|0,0,1]=3 95 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [1,0,1,0,0,0|1,0,1]=4 96 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [1,0,1,0,0,0|1,0,1]=4 97 B9R1.15 c1ccc(c(c1)CO)F AS03976 [1,0,1,0,0,0|1,0,1]=4 98 B9R1.15 c1ccc(c(c1)CO)I AS03985 [1,0,1,0,0,0|1,0,1]=4 99 B9R1.15 c1ccc(c(c1)CO)N AS00575 [1,0,1,0,0,0|0,0,2]=4 100 B9R1.15 c1ccc(c(c1)CO)O AS00547 [1,0,1,0,0,0|0,0,1]=3 101 B11R1.16 c1ccc(cc1)C(=O)N=C=O AS04369 [0,1,1,0,0,0|0,0,2]=4 102 B11R1.16 c1ccc(cc1)C(=O)N=C=S AS00355 [0,1,1,0,0,0|0,1,1]=4 103 B11R1.22 c1cc(ccc1C(=NO)N)F AS05619 [0,1,1,0,0,0|1,0,0]=3 104 B11R1.22 c1cc(ccc1C(CO)O)Br AS06515 [0,1,1,0,0,0|1,0,1]=4 105 B11R1.23 c1cc(cc(c1)Cl)C(=NO)N AS06677 [0,1,1,0,0,0|1,0,0]=3 106 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO AS04620 [0,1,1,0,0,0|1,0,1]=4 107 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O AS01425 [0,1,1,0,0,0|1,0,1]=4 108 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [0,1,1,0,0,0|1,0,1]=4 109 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,1,1,0,0,0|1,0,1]=4 110 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.37 COc1cc(ccc1C=O)Br AS02782 [0,1,1,0,0,0|1,0,1]=4 112 B11R1.37 COc1cc(ccc1C=O)Cl AS03934 [0,1,1,0,0,0|1,0,1]=4 113 B11R1.37 COc1cc(ccc1C=O)Cl AS05560 [0,1,1,0,0,0|1,0,1]=4 114 B11R1.37 COc1cc(ccc1C=O)F AS03036 [0,1,1,0,0,0|1,0,1]=4 115 B11R1.37 COc1cc(ccc1C=O)O AS06309 [0,1,1,0,0,0|1,0,1]=4 116 B11R1.37 COc1cc(ccc1CO)Br AS00555 [0,1,1,0,0,0|1,0,1]=4 117 B11R1.37 COc1cc(ccc1CO)Cl AS04003 [0,1,1,0,0,0|1,0,1]=4 118 B11R1.37 COc1cc(ccc1CO)F AS03982 [0,1,1,0,0,0|1,0,1]=4 119 B11R1.37 COc1ccc(cc1C=O)Br AS02976 [0,1,1,0,0,0|1,0,1]=4 120 B11R1.37 COc1ccc(cc1C=O)Cl AS03846 [0,1,1,0,0,0|1,0,1]=4 121 B11R1.37 COc1ccc(cc1C=O)Cl AS05561 [0,1,1,0,0,0|1,0,1]=4 122 B11R1.37 COc1ccc(cc1C=O)F AS03897 [0,1,1,0,0,0|1,0,1]=4 123 B11R1.37 COc1ccc(cc1CO)Br AS00560 [0,1,1,0,0,0|1,0,1]=4 124 B11R1.37 COc1ccc(cc1CO)F AS00599 [0,1,1,0,0,0|1,0,1]=4 125 B11R1.53 CC(=O)c1ccccc1OC AS05203 [0,1,1,0,0,0|1,0,1]=4 126 B11R1.53 CC(c1ccccc1OC)O AS04413 [0,1,1,0,0,0|1,0,1]=4 127 B11R1.53 c1ccc(c(c1)C#N)C(=O)O AS00846 [0,1,1,0,0,0|1,0,1]=4 128 B11R1.53 c1ccc(c(c1)C(=O)O)NN AS04612 [0,1,1,0,0,0|1,0,1]=4 129 B11R1.53 c1ccc(c(c1)CCl)C(=O)O AS00738 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.265 COc1c(cccc1Cl)C=O AS05558 [0,1,1,0,0,0|1,0,1]=4 131 B11R1.265 COc1c(cccc1Cl)C=O AS06905 [0,1,1,0,0,0|1,0,1]=4 132 B11R1.265 COc1c(cccc1F)C=O AS01462 [0,1,1,0,0,0|1,0,1]=4 133 B11R1.265 COc1c(cccc1F)C=O AS04977 [0,1,1,0,0,0|1,0,1]=4 134 B11R1.265 COc1cccc(c1C=O)F AS03034 [0,1,1,0,0,0|1,0,1]=4 135 B11R1.265 Cc1cccc(c1C=O)OC AS07021 [0,1,1,0,0,0|1,0,1]=4 136 B11R1.156 CC(=O)c1c(cccc1F)O AS01204 [0,1,1,0,0,0|1,0,1]=4 137 B11R1.156 Cc1cccc(c1C(=O)O)C AS00752 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.156 Cc1cccc(c1C(=O)O)Cl AS00924 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.156 Cc1cccc(c1C(=O)O)F AS00945 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.156 Cc1cccc(c1C(=O)O)N AS00734 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl AS03129 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F AS01799 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N AS00804 [0,1,1,0,0,0|2,0,0]=4 144 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl AS00751 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)F AS00966 [0,1,1,0,0,0|2,0,0]=4 146 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N AS00733 [0,1,1,0,0,0|2,0,0]=4 147 B11R1.156 c1cc(c(c(c1)F)C(=O)O)F AS00819 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N AS00980 [0,1,1,0,0,0|2,0,0]=4 149 B11R1.156 c1cc(c(c(c1)F)C(=O)O)O AS01855 [0,1,1,0,0,0|1,0,0]=3 150 B11R1.156 c1cc(c(c(c1)I)C(=O)O)F AS00149 [0,1,1,0,0,0|2,0,0]=4 151 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O AS04461 [0,1,1,0,0,0|1,0,0]=3 152 B11R1.159 CC(=O)c1cccc(c1O)Br AS05118 [0,1,1,0,0,0|1,0,1]=4 153 B11R1.159 CC(=O)c1cccc(c1O)N AS05085 [0,1,1,0,0,0|1,0,1]=4 154 B11R1.159 Cc1c(cccc1Br)C(=O)O AS00770 [0,1,1,0,0,0|2,0,0]=4 155 B11R1.159 Cc1c(cccc1Cl)C(=O)O AS02815 [0,1,1,0,0,0|2,0,0]=4 156 B11R1.159 Cc1c(cccc1F)C(=O)O AS01872 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.159 Cc1c(cccc1I)C(=O)O AS02263 [0,1,1,0,0,0|2,0,0]=4 158 B11R1.159 Cc1c(cccc1N)C(=O)O AS00871 [0,1,1,0,0,0|2,0,0]=4 159 B11R1.159 Cc1cccc(c1Br)C(=O)O AS03424 [0,1,1,0,0,0|2,0,0]=4 160 B11R1.159 Cc1cccc(c1C)C(=O)O AS01852 [0,1,1,0,0,0|2,0,0]=4 161 B11R1.159 Cc1cccc(c1C)C(=O)O AS06831 [0,1,1,0,0,0|2,0,0]=4 162 B11R1.159 Cc1cccc(c1Cl)C(=O)O AS02814 [0,1,1,0,0,0|2,0,0]=4 163 B11R1.159 Cc1cccc(c1F)C(=O)O AS01870 [0,1,1,0,0,0|2,0,0]=4 164 B11R1.159 Cc1cccc(c1I)C(=O)O AS02261 [0,1,1,0,0,0|2,0,0]=4 165 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O AS03130 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O AS01800 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AS00988 [0,1,1,0,0,0|2,0,0]=4 168 B11R1.159 c1cc(c(c(c1)Cl)Br)C(=O)O AS06341 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O AS00737 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AS01827 [0,1,1,0,0,0|2,0,0]=4 171 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O AS00973 [0,1,1,0,0,0|2,0,0]=4 172 B11R1.159 c1cc(c(c(c1)F)Cl)C(=O)O AS00964 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O AS00860 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.159 c1cc(c(c(c1)F)I)C(=O)O AS00974 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS00981 [0,1,1,0,0,0|2,0,0]=4 176 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS01538 [0,1,1,0,0,0|2,0,0]=4 177 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AS01856 [0,1,1,0,0,0|1,0,0]=3 178 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O AS06843 [0,1,1,0,0,0|2,0,0]=4 179 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O AS00148 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O AS01775 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O AS00805 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O AS06314 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O AS06486 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,1,1,0,0,0|1,0,1]=4 185 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,1,1,0,0,0|1,0,1]=4 186 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,1,1,0,0,0|1,0,1]=4 187 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,1,1,0,0,0|1,0,1]=4 188 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,1,1,0,0,0|2,0,0]=4 189 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,1,1,0,0,0|2,0,0]=4 194 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,1,1,0,0,0|2,0,0]=4 195 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,1,1,0,0,0|2,0,0]=4 196 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,1,1,0,0,0|2,0,0]=4 203 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,1,1,0,0,0|0,0,2]=4 205 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,1,1,0,0,0|1,0,0]=3 206 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,1,1,0,0,0|2,0,0]=4 209 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,1,1,0,0,0|2,0,0]=4 211 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,1,1,0,0,0|1,0,0]=3 212 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,1,1,0,0,0|2,0,0]=4 215 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,1,1,0,0,0|1,0,0]=3 218 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,1,1,0,0,0|1,0,0]=3 221 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,1,1,0,0,0|1,0,0]=3 225 B11R1.167 CC(=O)c1cc(ccc1O)Br AS01134 [0,1,1,0,0,0|1,0,1]=4 226 B11R1.167 CC(=O)c1cc(ccc1O)Cl AS03839 [0,1,1,0,0,0|1,0,1]=4 227 B11R1.167 CC(=O)c1cc(ccc1O)F AS01202 [0,1,1,0,0,0|1,0,1]=4 228 B11R1.167 CC(=O)c1cc(ccc1O)N AS05086 [0,1,1,0,0,0|1,0,1]=4 229 B11R1.167 CC(=O)c1cc(ccc1O)O AS05179 [0,1,1,0,0,0|1,0,1]=4 230 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br AS03425 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.167 Cc1ccc(c(c1)C(=O)O)C AS00745 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl AS00923 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.167 Cc1ccc(c(c1)C(=O)O)F AS01871 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.167 Cc1ccc(c(c1)C(=O)O)I AS02262 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.167 Cc1ccc(c(c1)C(=O)O)N AS00870 [0,1,1,0,0,0|2,0,0]=4 236 B11R1.167 Cc1ccc(cc1C(=O)O)Br AS03427 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.167 Cc1ccc(cc1C(=O)O)Cl AS02816 [0,1,1,0,0,0|2,0,0]=4 238 B11R1.167 Cc1ccc(cc1C(=O)O)F AS02485 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.167 Cc1ccc(cc1C(=O)O)F AS05000 [0,1,1,0,0,0|2,0,0]=4 240 B11R1.167 Cc1ccc(cc1C(=O)O)I AS00855 [0,1,1,0,0,0|2,0,0]=4 241 B11R1.167 Cc1ccc(cc1C(=O)O)N AS01782 [0,1,1,0,0,0|2,0,0]=4 242 B11R1.167 Cc1ccc(cc1C(=O)O)O AS06485 [0,1,1,0,0,0|2,0,0]=4 243 B11R1.167 c1cc(c(cc1Br)C(=O)O)Br AS03515 [0,1,1,0,0,0|2,0,0]=4 244 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl AS00872 [0,1,1,0,0,0|2,0,0]=4 245 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl AS03133 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AS03291 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.167 c1cc(c(cc1Br)C(=O)O)I AS00873 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.167 c1cc(c(cc1Br)C(=O)O)N AS00984 [0,1,1,0,0,0|2,0,0]=4 249 B11R1.167 c1cc(c(cc1Br)C(=O)O)O AS03670 [0,1,1,0,0,0|1,0,0]=3 250 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Br AS00799 [0,1,1,0,0,0|2,0,0]=4 251 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl AS00768 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AS02960 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.167 c1cc(c(cc1Cl)C(=O)O)I AS00876 [0,1,1,0,0,0|2,0,0]=4 254 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N AS01120 [0,1,1,0,0,0|2,0,0]=4 255 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AS00971 [0,1,1,0,0,0|2,0,0]=4 256 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AS00967 [0,1,1,0,0,0|2,0,0]=4 257 B11R1.167 c1cc(c(cc1F)C(=O)O)F AS00859 [0,1,1,0,0,0|2,0,0]=4 258 B11R1.167 c1cc(c(cc1F)C(=O)O)I AS01863 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.167 c1cc(c(cc1F)C(=O)O)N AS00978 [0,1,1,0,0,0|2,0,0]=4 260 B11R1.167 c1cc(c(cc1F)C(=O)O)O AS01286 [0,1,1,0,0,0|1,0,0]=3 261 B11R1.167 c1cc(c(cc1I)C(=O)N)O AS02195 [0,1,1,0,0,0|0,0,2]=4 262 B11R1.167 c1cc(c(cc1I)C(=O)O)Br AS03363 [0,1,1,0,0,0|2,0,0]=4 263 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl AS03065 [0,1,1,0,0,0|2,0,0]=4 264 B11R1.167 c1cc(c(cc1I)C(=O)O)F AS02181 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.167 c1cc(c(cc1I)C(=O)O)I AS02131 [0,1,1,0,0,0|2,0,0]=4 266 B11R1.167 c1cc(c(cc1I)C(=O)O)N AS02983 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.167 c1cc(c(cc1I)C(=O)O)O AS02197 [0,1,1,0,0,0|1,0,0]=3 268 B11R1.167 c1cc(c(cc1N)C(=O)O)Br AS01769 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl AS01771 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.167 c1cc(c(cc1N)C(=O)O)F AS00979 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.167 c1cc(c(cc1O)C(=O)O)F AS01285 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.167 c1cc(c(cc1O)C(=O)O)O AS04641 [0,1,1,0,0,0|1,0,0]=3 273 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O AS04440 [0,1,1,0,0,0|1,0,1]=4 274 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [1,1,0,0,0,0|2,0,0]=4 275 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [1,1,0,0,0,0|1,0,0]=3 276 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [1,1,0,0,0,0|1,1,0]=4 277 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [1,1,0,0,0,0|2,0,0]=4 278 B11R2.36 c1cc(cc2c1cco2)O AS06445 [1,1,0,0,0,0|1,0,0]=3 279 B11R2.36 c1cc(cc2c1ccs2)Br AS06370 [1,1,0,0,0,0|1,1,0]=4 280 B11R2.36 c1cc2c(cc1Br)CCO2 AS06345 [1,1,0,0,0,0|1,0,1]=4 281 B11R2.36 c1cc2c(cc1Br)OCC2 AS06451 [1,1,0,0,0,0|1,0,1]=4 282 B11R2.36 c1cc2c(cc1Br)OCO2 AS00922 [1,1,0,0,0,0|2,0,0]=4 283 B11R2.36 c1cc2c(cc1Cl)OCO2 AS02681 [1,1,0,0,0,0|2,0,0]=4 284 B11R2.36 c1cc2c(cc1I)CCO2 AS06344 [1,1,0,0,0,0|1,0,1]=4 285 B11R2.36 c1cc2c(cc1I)OCO2 AS02215 [1,1,0,0,0,0|2,0,0]=4 286 B11R2.36 c1cc2c(cc1N)CCO2 AS06343 [1,1,0,0,0,0|1,0,1]=4 287 B11R2.36 c1cc2c(cc1N)OCO2 AS06260 [1,1,0,0,0,0|2,0,0]=4 288 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [1,1,0,0,0,0|2,0,0]=4 289 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [1,1,0,0,0,0|1,0,0]=3 290 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [1,1,0,0,0,0|1,0,0]=3 291 B11R2.36 c1cc2c(cco2)cc1F AS06429 [1,1,0,0,0,0|1,0,0]=3 292 B11R2.36 c1cc2c(ccs2)cc1Br AS06396 [1,1,0,0,0,0|1,1,0]=4 293 B11R2.106 Cc1cccc2c1ccs2 AS06380 [1,1,0,0,0,0|1,1,0]=4 294 B11R2.106 Cc1cccc2c1occ2 AS06434 [1,1,0,0,0,0|1,0,0]=3 295 B11R2.106 c1cc(c2c(c1)ocn2)N AS06338 [1,1,0,0,0,0|2,0,0]=4 296 B11R2.106 c1cc(c2ccoc2c1)O AS06427 [1,1,0,0,0,0|1,0,0]=3 297 B11R2.106 c1cc(c2ccsc2c1)F AS06415 [1,1,0,0,0,0|1,1,0]=4 298 B11R2.106 c1cc2c(cc[nH]2)c(c1)F AS02112 [1,1,0,0,0,0|2,0,0]=4 299 B11R2.106 c1cc2c(ccs2)c(c1)Br AS06414 [1,1,0,0,0,0|1,1,0]=4 300 B11R2.106 c1cc2cc[nH]c2c(c1)F AS02114 [1,1,0,0,0,0|2,0,0]=4 301 B11R2.106 c1cc2ccoc2c(c1)Br AS06376 [1,1,0,0,0,0|1,0,0]=3 302 B11R2.106 c1cc2ccoc2c(c1)Cl AS06439 [1,1,0,0,0,0|1,0,0]=3 303 B11R2.106 c1cc2ccoc2c(c1)F AS06440 [1,1,0,0,0,0|1,0,0]=3 304 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AS06318 [0,1,0,0,0,1|1,0,1]=4 305 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AS06308 [0,1,0,0,0,1|1,0,1]=4 306 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AS06389 [0,1,0,0,0,1|1,0,1]=4 307 B13R2.162 c1cc2c(c(c1)F)NC(=O)CO2 AS06288 [0,1,0,0,0,1|1,0,1]=4 308 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AS06276 [0,1,0,0,0,1|1,0,1]=4 309 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AS06337 [0,1,0,0,0,1|1,0,1]=4 310 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 AS06333 [0,1,0,0,0,1|1,0,1]=4 311 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AS06393 [0,1,0,0,0,1|1,0,1]=4 312 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O AS06042 [0,2,0,0,0,0|2,0,0]=4 313 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O AS06612 [0,2,0,0,0,0|1,1,0]=4 314 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O AS06349 [0,2,0,0,0,0|1,0,1]=4 315 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl AS06450 [0,2,0,0,0,0|1,0,1]=4 316 B11R1.86 CC(=O)Nc1ccccc1O AS00888 [0,0,1,0,0,1|1,0,1]=4 317 B11R1.86 c1ccc(c(c1)CC(=O)O)Br AS00524 [0,0,1,0,0,1|2,0,0]=4 318 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl AS05022 [0,0,1,0,0,1|2,0,0]=4 319 B11R1.86 c1ccc(c(c1)CC(=O)O)F AS00497 [0,0,1,0,0,1|2,0,0]=4 320 B11R1.86 c1ccc(c(c1)CC(=O)O)I AS00532 [0,0,1,0,0,1|2,0,0]=4