0 B12R2.612 Cn1c2ccc(cc2nn1)Br AS06400 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.612 c1cc2c(cc1Br)COC2=O AS07099 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.612 c1cc2c(cc1Br)OCC2=O AS06368 [0,0,0,0,0,0|1,1,1]=3 3 B12R2.612 c1cc2c(cc1Br)onc2Cl AS06283 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.612 c1cc2c(cc1Cl)CCC2=O AS04658 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 c1cc2c(cc1Cl)OCC2=O AS06461 [0,0,0,0,0,0|1,0,1]=2 6 B12R2.612 c1cc2c(cc1Cl)onc2O AS06205 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.612 c1cc2c(cc1F)OCC2=O AS06460 [0,0,0,0,0,0|1,1,1]=3 8 B12R2.612 c1cc2c(cc1O)OCC2=O AS06432 [0,0,0,0,0,0|2,0,1]=3 9 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [1,0,0,0,0,0|2,0,0]=3 10 B11R2.1 c1ccc2c(c1)c(no2)Cl AS06286 [1,0,0,0,0,0|1,0,0]=2 11 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [1,0,0,0,0,0|0,0,0]=1 12 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [1,0,0,0,0,0|2,1,0]=4 14 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.36 c1cc(cc2c1cco2)O AS06445 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.36 c1cc(cc2c1ccs2)Br AS06370 [1,0,0,0,0,0|1,2,0]=4 17 B11R2.36 c1cc2c(cc1Br)OCC2 AS06451 [1,0,0,0,0,0|1,1,1]=4 18 B11R2.36 c1cc2c(cc1Br)OCO2 AS00922 [1,0,0,0,0,0|2,1,0]=4 19 B11R2.36 c1cc2c(cc1Cl)OCO2 AS02681 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.36 c1cc2c(cc1I)OCO2 AS02215 [1,0,0,0,0,0|2,1,0]=4 21 B11R2.36 c1cc2c(cc1N)OCO2 AS06260 [1,0,0,0,0,0|3,0,0]=4 22 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.5187 c1cc2c(cc1Cl)C(=O)OC2=O AS07188 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.22 CCC(=O)c1ccc(cc1)Cl AS03849 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.22 COC(=O)c1ccc(cc1)Cl AS02923 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.22 c1cc(ccc1C(=NO)N)F AS05619 [0,0,1,0,0,0|1,1,0]=3 27 B11R1.22 c1cc(ccc1C(=O)CBr)Cl AS01180 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.22 c1cc(ccc1C(=O)CCl)Cl AS05154 [0,0,1,0,0,0|2,0,1]=4 29 B11R1.22 c1cc(ccc1C(=O)CN)Cl AS05073 [0,0,1,0,0,0|2,0,1]=4 30 B11R1.22 c1cc(ccc1C(=O)NN)Cl AS02684 [0,0,1,0,0,0|1,0,2]=4 31 B11R1.22 c1cc(ccc1C(CO)O)Br AS06515 [0,0,1,0,0,0|1,1,1]=4 32 B11R1.24 c1cc(cc(c1)Cl)OCCBr AS05649 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.37 COc1cc(ccc1C=O)Br AS02782 [0,0,1,0,0,0|1,1,1]=4 34 B11R1.37 COc1cc(ccc1C=O)Cl AS03934 [0,0,1,0,0,0|1,0,1]=3 35 B11R1.37 COc1cc(ccc1C=O)Cl AS05560 [0,0,1,0,0,0|1,0,1]=3 36 B11R1.37 COc1cc(ccc1C=O)F AS03036 [0,0,1,0,0,0|1,1,1]=4 37 B11R1.37 COc1cc(ccc1C=O)O AS06309 [0,0,1,0,0,0|2,0,1]=4 38 B11R1.37 COc1cc(ccc1CO)Br AS00555 [0,0,1,0,0,0|1,1,1]=4 39 B11R1.37 COc1cc(ccc1CO)Cl AS04003 [0,0,1,0,0,0|1,0,1]=3 40 B11R1.37 COc1cc(ccc1CO)F AS03982 [0,0,1,0,0,0|1,1,1]=4 41 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O AS04992 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.166 B(c1ccc(cc1F)Cl)(O)O AS06029 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl AS03861 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.166 CC(=O)c1ccc(cc1F)Cl AS04005 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,0,1,0,0,0|1,0,1]=3 46 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,0,1,0,0,0|1,1,1]=4 47 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,0,1,0,0,0|2,0,1]=4 48 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,0,1,0,0,0|2,0,1]=4 49 B11R1.166 Cc1cc(ccc1C(=O)C)Cl AS05148 [0,0,1,0,0,0|2,0,1]=4 50 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,0,1,0,0,0|2,1,0]=4 51 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,0,1,0,0,0|2,0,0]=3 52 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,0,1,0,0,0|2,1,0]=4 53 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,0,1,0,0,0|2,1,0]=4 54 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,0,1,0,0,0|3,0,0]=4 55 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,0,1,0,0,0|3,0,0]=4 56 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,0,1,0,0,0|3,0,0]=4 57 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,0,1,0,0,0|3,0,0]=4 58 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,0,1,0,0,0|3,0,0]=4 59 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,0,1,0,0,0|2,0,1]=4 60 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,0,1,0,0,0|2,1,0]=4 61 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,0,1,0,0,0|2,1,0]=4 62 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,0,1,0,0,0|2,1,0]=4 64 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,0,1,0,0,0|2,1,0]=4 65 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,0,1,0,0,0|2,1,0]=4 66 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,0,1,0,0,0|0,1,2]=4 67 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,0,1,0,0,0|1,1,0]=3 68 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,0,1,0,0,0|2,0,0]=3 69 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,0,1,0,0,0|2,0,0]=3 70 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl AS00041 [0,0,1,0,0,0|2,0,1]=4 71 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,0,1,0,0,0|2,0,0]=3 72 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,0,1,0,0,0|2,0,0]=3 73 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [0,0,1,0,0,0|1,0,2]=4 74 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,0,1,0,0,0|1,0,0]=2 76 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,0,1,0,0,0|2,1,0]=4 77 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,0,1,0,0,0|2,1,0]=4 78 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,0,1,0,0,0|2,1,0]=4 79 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,0,1,0,0,0|2,1,0]=4 80 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,0,1,0,0,0|2,1,0]=4 81 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,0,1,0,0,0|1,1,0]=3 82 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,0,1,0,0,0|2,1,0]=4 83 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,0,1,0,0,0|2,1,0]=4 84 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,0,1,0,0,0|1,1,0]=3 85 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,0,1,0,0,0|3,0,0]=4 87 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,0,1,0,0,0|3,0,0]=4 88 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,0,1,0,0,0|2,0,0]=3 89 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AS06276 [0,0,0,0,0,1|1,1,1]=4 90 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AS06337 [0,0,0,0,0,1|1,1,1]=4 91 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 AS06333 [0,0,0,0,0,1|2,0,1]=4 92 B10R1.1 c1cc(ccc1C=NO)Br AS00917 [1,0,1,0,0,0|0,1,0]=3 93 B10R1.1 c1cc(ccc1C=NO)F AS00303 [1,0,1,0,0,0|0,1,0]=3 94 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.13 B(c1ccc(cc1)C)(O)O AS07183 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.13 B(c1ccc(cc1)Cl)(O)O AS04983 [1,0,1,0,0,0|1,0,0]=3 97 B10R1.13 B(c1ccc(cc1)F)(O)O AS04986 [1,0,1,0,0,0|1,1,0]=4 98 B10R1.13 B(c1ccc(cc1)O)(O)O AS06272 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.13 B(c1ccc(cc1)S)(O)O AS06762 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [1,0,1,0,0,0|1,0,1]=4 101 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [1,0,1,0,0,0|1,0,1]=4 102 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [1,0,1,0,0,0|1,0,1]=4 103 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [1,0,1,0,0,0|2,0,0]=4 105 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [1,0,1,0,0,0|0,0,2]=4 106 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [1,0,1,0,0,0|0,1,1]=4 107 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [1,0,1,0,0,0|0,0,1]=3 108 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [1,0,1,0,0,0|0,1,1]=4 109 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [1,0,1,0,0,0|0,1,1]=4 110 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [1,0,1,0,0,0|1,0,1]=4 111 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [1,0,1,0,0,0|0,1,1]=4 112 B10R1.13 c1cc(ncc1Cl)C(=O)O AS04938 [1,0,1,0,0,0|1,0,1]=4 113 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [1,0,1,0,0,0|1,0,0]=3 114 B10R1.10 CCOc1cccc(c1)Cl AS02832 [1,0,1,0,0,0|1,0,1]=4 115 B10R1.10 c1cc(cc(c1)Br)C=NO AS00916 [1,0,1,0,0,0|1,1,0]=4 116 B10R1.10 c1cc(cc(c1)Cl)CCO AS00585 [1,0,1,0,0,0|1,0,1]=4 117 B10R1.10 c1cc(cc(c1)F)C=NO AS00302 [1,0,1,0,0,0|1,1,0]=4 118 B10R1.20 COc1ccccc1CO AS03989 [1,0,1,0,0,0|1,0,1]=4 119 B10R1.25 Cc1cc(ccc1C=O)Cl AS06678 [1,0,1,0,0,0|1,0,1]=4 120 B10R1.25 c1cc(c(cc1Br)O)C=O AS04630 [1,0,1,0,0,0|0,1,1]=4 121 B10R1.25 c1cc(c(cc1Br)O)CO AS05949 [1,0,1,0,0,0|0,1,1]=4 122 B10R1.25 c1cc(c(cc1Cl)Br)C=O AS03789 [1,0,1,0,0,0|1,0,1]=4 123 B10R1.25 c1cc(c(cc1Cl)Cl)CO AS00605 [1,0,1,0,0,0|1,0,1]=4 124 B10R1.25 c1cc(c(cc1Cl)F)C=O AS03836 [1,0,1,0,0,0|1,0,1]=4 125 B10R1.25 c1cc(c(cc1Cl)F)CO AS00595 [1,0,1,0,0,0|1,0,1]=4 126 B10R1.25 c1cc(c(cc1Cl)O)C#N AS05818 [1,0,1,0,0,0|0,0,2]=4 127 B10R1.25 c1cc(c(cc1Cl)O)C=O AS05554 [1,0,1,0,0,0|0,0,1]=3 128 B10R1.25 c1cc(c(cc1F)O)C=O AS03068 [1,0,1,0,0,0|0,1,1]=4 129 B10R1.25 c1cc(c(cc1O)O)C=O AS02995 [1,0,1,0,0,0|1,0,1]=4 130 B10R1.30 COc1cc(ccc1Br)Cl AS03119 [1,0,1,0,0,0|2,0,0]=4 131 B10R1.30 COc1cc(ccc1Cl)Cl AS02855 [1,0,1,0,0,0|2,0,0]=4 132 B10R1.30 COc1cc(ccc1I)Cl AS01817 [1,0,1,0,0,0|2,0,0]=4 133 B10R1.30 COc1cc(ccc1O)Cl AS02798 [1,0,1,0,0,0|1,0,0]=3 134 B10R1.30 COc1cc(ccc1O)F AS00164 [1,0,1,0,0,0|1,1,0]=4 135 B10R1.30 COc1cc(ccc1O)N AS06520 [1,0,1,0,0,0|2,0,0]=4 136 B10R1.30 Cc1ccc(cc1OC)Cl AS02811 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.30 c1cc(c(cc1Cl)C=O)O AS02954 [1,0,1,0,0,0|2,0,0]=4 138 B10R1.30 c1cc(c(cc1Cl)C=O)O AS03840 [1,0,1,0,0,0|2,0,0]=4 139 B10R1.61 CC(=O)c1ccccc1O AS01159 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [1,0,1,0,0,0|2,0,0]=4 141 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [1,0,1,0,0,0|2,0,0]=4 143 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [1,0,1,0,0,0|2,0,0]=4 144 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Cl AS06628 [0,1,1,0,0,0|1,0,1]=4 145 B12R1.367 c1cc(c(cc1C(=O)CO)Cl)Cl AS05160 [0,1,1,0,0,0|1,0,1]=4 146 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [0,1,1,0,0,0|2,0,0]=4 147 B12R1.57 COc1cc(ccc1C(=O)O)Br AS00874 [0,1,1,0,0,0|1,1,0]=4 148 B12R1.57 COc1cc(ccc1C(=O)O)F AS02598 [0,1,1,0,0,0|1,1,0]=4 149 B12R1.57 COc1cc(ccc1C(=O)O)I AS02241 [0,1,1,0,0,0|1,1,0]=4 150 B12R1.57 COc1cc(ccc1C(=O)O)N AS01780 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.57 COc1cc(ccc1C(=O)O)O AS06317 [0,1,1,0,0,0|2,0,0]=4 152 B12R1.234 COc1cc(cc(c1C=O)F)Cl AS06495 [0,1,1,0,0,0|1,0,1]=4 153 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O AS03150 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.232 c1c(c(cc(c1Cl)Cl)F)C(=O)O AS02480 [0,1,1,0,0,0|2,0,0]=4 155 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O AS02478 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O AS00748 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F AS00740 [0,1,1,0,0,0|1,1,0]=4 158 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)O)C AS06278 [0,1,1,0,0,0|2,0,0]=4 159 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl AS06872 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl AS00146 [0,1,1,0,0,0|2,0,0]=4 161 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 AS06367 [1,1,0,0,0,0|1,0,1]=4 162 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AS06459 [1,1,0,0,0,0|1,0,1]=4 163 B12R2.132 c1cc2c(cc1F)C(=O)CO2 AS06458 [1,1,0,0,0,0|1,0,1]=4 164 B12R2.44 c1cc(cc2c1cco2)C#N AS06430 [1,1,0,0,0,0|2,0,0]=4 165 B12R2.44 c1cc(cc2c1cco2)C=O AS06420 [1,1,0,0,0,0|2,0,0]=4 166 B12R2.82 c1cc(c(c2c1cco2)Br)F AS06424 [1,1,0,0,0,0|1,1,0]=4 167 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O AS00523 [0,0,1,0,0,1|2,0,0]=4 168 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O AS00536 [0,0,1,0,0,1|2,0,0]=4