0 B12R2.612 Cn1c2ccc(cc2nn1)Br AS06400 [0,0,0,0,0,0|2,1,1]=4 1 B12R2.612 Cn1cnc2c1ccc(c2)F AS07072 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.612 c1cc2c(cc1Br)COC2=O AS07099 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 c1cc2c(cc1Br)OCC2=O AS06368 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 c1cc2c(cc1Br)onc2Cl AS06283 [0,0,0,0,0,0|2,1,0]=3 5 B12R2.612 c1cc2c(cc1Cl)CCC2=O AS04658 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 c1cc2c(cc1Cl)OCC2=O AS06461 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 c1cc2c(cc1Cl)onc2O AS06205 [0,0,0,0,0,0|1,1,0]=2 8 B12R2.612 c1cc2c(cc1F)OCC2=O AS06460 [0,0,0,0,0,0|2,0,1]=3 9 B12R2.612 c1cc2c(cc1O)OCC2=O AS06432 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 c1ccc2c(c1)c(co2)Br AS06438 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 c1ccc2c(c1)c(no2)Cl AS06286 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.1 c1ccc2c(c1)c(no2)O AS06287 [1,0,0,0,0,0|1,0,0]=2 13 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [1,0,0,0,0,0|1,0,0]=2 15 B11R2.36 c1cc(cc2c1cco2)O AS06445 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.36 c1cc(cc2c1ccs2)Br AS06370 [1,0,0,0,0,0|2,1,0]=4 17 B11R2.36 c1cc2c(cc1F)[nH]cn2 AS07084 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [1,0,0,0,0,0|3,0,0]=4 19 B11R2.36 c1cc2c(cco2)cc1F AS06429 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O AS02025 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.22 CCC(=O)c1ccc(cc1)F AS03904 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.22 COC(=O)c1ccc(cc1)F AS01318 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.22 Cc1ccc(cc1)C(=O)CN AS05091 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.22 c1cc(ccc1C(=NO)N)F AS05619 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.22 c1cc(ccc1C(=O)CN)Br AS05065 [0,0,1,0,0,0|1,1,1]=4 26 B11R1.22 c1cc(ccc1C(=O)CN)Cl AS05073 [0,0,1,0,0,0|1,1,1]=4 27 B11R1.22 c1cc(ccc1C(=O)CN)F AS05082 [0,0,1,0,0,0|1,0,1]=3 28 B11R1.22 c1cc(ccc1C(=O)NN)Br AS00928 [0,0,1,0,0,0|0,1,2]=4 29 B11R1.22 c1cc(ccc1C(=O)NN)Cl AS02684 [0,0,1,0,0,0|0,1,2]=4 30 B11R1.22 c1cc(ccc1C(=O)NN)F AS00306 [0,0,1,0,0,0|0,0,2]=3 31 B11R1.22 c1cc(ccc1C(=O)NN)I AS02957 [0,0,1,0,0,0|0,1,2]=4 32 B11R1.22 c1cc(ccc1C(=O)NN)O AS00896 [0,0,1,0,0,0|1,0,2]=4 33 B11R1.24 c1cc(cc(c1)F)CN=C=O AS04384 [0,0,1,0,0,0|1,0,2]=4 34 B11R1.37 COc1cc(ccc1C=O)F AS03036 [0,0,1,0,0,0|2,0,1]=4 35 B11R1.37 COc1cc(ccc1CO)F AS03982 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.166 B(c1ccc(cc1Cl)F)(O)O AS04981 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01149 [0,0,1,0,0,0|2,0,1]=4 38 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01174 [0,0,1,0,0,0|2,0,1]=4 39 B11R1.166 CC(=O)c1ccc(cc1Cl)F AS04025 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.166 CC(=O)c1ccc(cc1F)F AS01190 [0,0,1,0,0,0|2,0,1]=4 41 B11R1.166 CC(=O)c1ccc(cc1N)F AS06564 [0,0,1,0,0,0|1,0,1]=3 42 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,0,1,0,0,0|2,0,1]=4 43 B11R1.166 Cc1cc(ccc1C(=O)C)F AS01144 [0,0,1,0,0,0|2,0,1]=4 44 B11R1.166 Cc1cc(ccc1C(=O)C)F AS03900 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,0,1,0,0,0|2,1,0]=4 46 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,0,1,0,0,0|2,1,0]=4 47 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,0,1,0,0,0|2,0,0]=3 48 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,0,1,0,0,0|2,0,0]=3 49 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,0,1,0,0,0|3,0,0]=4 50 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,0,1,0,0,0|3,0,0]=4 51 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,0,1,0,0,0|3,0,0]=4 52 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,0,1,0,0,0|3,0,0]=4 53 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,0,1,0,0,0|2,0,0]=3 54 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,0,1,0,0,0|2,1,0]=4 55 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,0,1,0,0,0|2,1,0]=4 56 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,0,1,0,0,0|2,1,0]=4 57 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,0,1,0,0,0|2,1,0]=4 58 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,0,1,0,0,0|2,1,0]=4 59 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,0,1,0,0,0|1,1,0]=3 60 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,0,1,0,0,0|2,1,0]=4 61 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,0,1,0,0,0|2,1,0]=4 62 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,0,1,0,0,0|2,1,0]=4 63 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,0,1,0,0,0|2,1,0]=4 64 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,0,1,0,0,0|2,1,0]=4 65 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [0,0,1,0,0,0|0,1,2]=4 66 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,0,1,0,0,0|1,1,0]=3 67 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,0,1,0,0,0|2,1,0]=4 68 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl AS00048 [0,0,1,0,0,0|2,0,1]=4 69 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,0,1,0,0,0|2,0,0]=3 70 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl AS00039 [0,0,1,0,0,0|2,0,1]=4 71 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,0,1,0,0,0|2,0,0]=3 72 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl AS00033 [0,0,1,0,0,0|2,0,1]=4 73 B11R1.166 c1cc(c(cc1F)F)C(=O)N AS00796 [0,0,1,0,0,0|1,0,2]=4 74 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,0,1,0,0,0|2,0,0]=3 75 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] AS00779 [0,0,1,0,0,0|2,0,1]=4 76 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,0,1,0,0,0|2,0,0]=3 77 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,0,1,0,0,0|1,0,0]=2 78 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] AS05385 [0,0,1,0,0,0|2,0,1]=4 79 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,0,1,0,0,0|2,1,0]=4 81 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,0,1,0,0,0|2,1,0]=4 82 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,0,1,0,0,0|2,1,0]=4 83 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,0,1,0,0,0|3,0,0]=4 84 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,0,1,0,0,0|3,0,0]=4 85 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,0,1,0,0,0|3,0,0]=4 86 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,0,1,0,0,0|3,0,0]=4 87 B13R2.3683 c1cc(cc2c1cc(cc2)Br)F AS02460 [0,0,0,0,0,1|3,0,0]=4 88 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AS06337 [0,0,0,0,0,1|2,0,1]=4 89 B10R1.1 c1cc(ccc1C=NO)Br AS00917 [1,0,1,0,0,0|1,1,0]=4 90 B10R1.1 c1cc(ccc1C=NO)F AS00303 [1,0,1,0,0,0|1,0,0]=3 91 B10R1.1 c1cc(ccc1CCN)F AS00493 [1,0,1,0,0,0|1,0,1]=4 92 B10R1.13 B(c1ccc(cc1)F)(O)O AS04986 [1,0,1,0,0,0|2,0,0]=4 93 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [1,0,1,0,0,0|1,0,1]=4 94 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [1,0,1,0,0,0|1,0,1]=4 96 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [1,0,1,0,0,0|2,0,0]=4 98 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [1,0,1,0,0,0|2,0,0]=4 99 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [1,0,1,0,0,0|0,1,1]=4 100 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [1,0,1,0,0,0|0,1,1]=4 101 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [1,0,1,0,0,0|0,0,1]=3 102 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [1,0,1,0,0,0|1,1,0]=4 103 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [1,0,1,0,0,0|1,1,0]=4 104 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [1,0,1,0,0,0|1,0,0]=3 105 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [1,0,1,0,0,0|1,1,0]=4 106 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [1,0,1,0,0,0|2,0,0]=4 107 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [1,0,1,0,0,0|1,0,1]=4 108 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [1,0,1,0,0,0|0,2,0]=4 109 B10R1.13 c1cc(ncc1C(=O)O)F AS04828 [1,0,1,0,0,0|2,0,0]=4 110 B10R1.13 c1cc(ncc1F)C(=O)O AS04870 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.15 c1ccc(cc1)C(=NO)N AS06646 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [1,0,1,0,0,0|0,0,2]=4 113 B10R1.10 c1cc(cc(c1)Br)C=NO AS00916 [1,0,1,0,0,0|1,1,0]=4 114 B10R1.10 c1cc(cc(c1)F)C=NO AS00302 [1,0,1,0,0,0|1,0,0]=3 115 B10R1.10 c1cc(cc(c1)F)CCO AS01801 [1,0,1,0,0,0|1,0,1]=4 116 B10R1.10 c1cc(cc(c1)F)N=C=O AS00721 [1,0,1,0,0,0|0,0,2]=4 117 B10R1.10 c1cc(cc(c1)F)N=C=S AS00358 [1,0,1,0,0,0|0,1,1]=4 118 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,0,1,0,0,0|1,0,1]=4 119 B10R1.25 C=Cc1ccc(cc1F)F AS03796 [1,0,1,0,0,0|2,0,0]=4 120 B10R1.25 COc1ccc(cc1N)F AS04087 [1,0,1,0,0,0|2,0,0]=4 121 B10R1.25 Cc1cc(ccc1C=O)F AS01471 [1,0,1,0,0,0|1,0,1]=4 122 B10R1.25 Cc1cc(ccc1CO)F AS00602 [1,0,1,0,0,0|1,0,1]=4 123 B10R1.25 c1cc(c(cc1Br)N)C=O AS06833 [1,0,1,0,0,0|0,1,1]=4 124 B10R1.25 c1cc(c(cc1Br)N)CO AS01411 [1,0,1,0,0,0|0,1,1]=4 125 B10R1.25 c1cc(c(cc1F)Br)C=O AS03017 [1,0,1,0,0,0|1,0,1]=4 126 B10R1.25 c1cc(c(cc1F)Br)CO AS03955 [1,0,1,0,0,0|1,0,1]=4 127 B10R1.25 c1cc(c(cc1F)Cl)C=O AS03023 [1,0,1,0,0,0|1,0,1]=4 128 B10R1.25 c1cc(c(cc1F)Cl)CO AS03966 [1,0,1,0,0,0|1,0,1]=4 129 B10R1.25 c1cc(c(cc1F)F)C=O AS01451 [1,0,1,0,0,0|1,0,1]=4 130 B10R1.25 c1cc(c(cc1F)F)CO AS00610 [1,0,1,0,0,0|1,0,1]=4 131 B10R1.25 c1cc(c(cc1F)N)C#N AS01602 [1,0,1,0,0,0|0,0,2]=4 132 B10R1.25 c1cc(c(cc1F)N)C=O AS05525 [1,0,1,0,0,0|0,0,1]=3 133 B10R1.25 c1cc(c(cc1F)O)C=O AS03068 [1,0,1,0,0,0|1,0,1]=4 134 B10R1.30 COc1cc(ccc1O)F AS00164 [1,0,1,0,0,0|2,0,0]=4 135 B10R1.30 Cc1ccc(cc1NN)F AS02009 [1,0,1,0,0,0|0,0,2]=4 136 B10R1.30 c1cc(c(cc1F)C=O)O AS01457 [1,0,1,0,0,0|2,0,0]=4 137 B10R1.30 c1cc(c(cc1F)NN)Cl AS03275 [1,0,1,0,0,0|1,0,1]=4 138 B10R1.30 c1cc(c(cc1F)NN)F AS02001 [1,0,1,0,0,0|1,0,1]=4 139 B10R1.30 c1cc(c(cc1F)NN)F AS03278 [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 B10R2.7 c1cc2cc[nH]c2nc1 AS07114 [2,0,0,0,0,0|2,0,0]=4 145 B12R1.367 c1cc(c(cc1C(=O)NN)F)F AS00257 [0,1,1,0,0,0|0,0,2]=4 146 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN AS00256 [0,1,1,0,0,0|0,0,2]=4 147 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [0,1,1,0,0,0|2,0,0]=4 148 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [0,1,1,0,0,0|2,0,0]=4 149 B12R1.57 COc1cc(ccc1C(=O)O)F AS02598 [0,1,1,0,0,0|2,0,0]=4 150 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F AS05008 [0,1,1,0,0,0|2,0,0]=4 151 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O AS05003 [0,1,1,0,0,0|2,0,0]=4 152 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O AS01824 [0,1,1,0,0,0|2,0,0]=4 153 B12R1.232 c1c(c(cc(c1F)Br)N)C(=O)O AS06892 [0,1,1,0,0,0|1,1,0]=4 154 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O AS00957 [0,1,1,0,0,0|2,0,0]=4 155 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O AS00728 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O AS01907 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O AS00954 [0,1,1,0,0,0|1,0,0]=3 158 B12R1.452 COc1ccc(c(c1)N)C(=O)O AS04457 [0,1,1,0,0,0|2,0,0]=4 159 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F AS01849 [0,1,1,0,0,0|2,0,0]=4 160 B12R1.893 Cc1c(ccc(c1F)C(=O)O)F AS05002 [0,1,1,0,0,0|2,0,0]=4 161 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O AS04504 [0,1,1,0,0,0|2,0,0]=4 162 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O AS05006 [0,1,1,0,0,0|2,0,0]=4 163 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O AS01774 [0,1,1,0,0,0|2,0,0]=4 164 B12R1.893 c1cc(c(c(c1C(=O)O)Cl)Cl)F AS01843 [0,1,1,0,0,0|2,0,0]=4 165 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F AS00767 [0,1,1,0,0,0|2,0,0]=4 166 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F AS01904 [0,1,1,0,0,0|2,0,0]=4 167 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F AS01846 [0,1,1,0,0,0|2,0,0]=4 168 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F AS00740 [0,1,1,0,0,0|2,0,0]=4 169 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F AS01908 [0,1,1,0,0,0|2,0,0]=4 170 B12R2.82 c1cc(c(c2c1cco2)Br)F AS06424 [1,1,0,0,0,0|2,0,0]=4 171 B12R2.100 c1c[nH]c2c1cc(c(c2)F)F AS05060 [1,1,0,0,0,0|1,0,0]=3 172 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F AS06052 [1,1,0,0,0,0|1,0,0]=3 173 B12R2.606 Cc1cc2ccc(cc2[nH]1)F AS06057 [1,1,0,0,0,0|1,0,0]=3 174 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AS06884 [1,1,0,0,0,0|1,0,1]=4 175 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)F AS05054 [0,2,0,0,0,0|1,0,1]=4 176 B14R2.645 Cc1cc2c(cc1F)NC(=O)C2=O AS05053 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.233 Cc1cc(ccc1CC(=O)O)F AS00504 [0,0,1,0,0,1|2,0,0]=4 178 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O AS00526 [0,0,1,0,0,1|2,0,0]=4 179 B12R1.233 c1cc(c(cc1F)F)CC(=O)O AS01963 [0,0,1,0,0,1|2,0,0]=4