0 B10R1.22 Cc1cc(c(c(c1)C)O)C ACT04701 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.22 Cc1cc(cc(c1N)C)Br ACT09535 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.22 Cc1cc(cc(c1O)Cl)Br ACT00271 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br ACT03074 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.22 c1c(cc(c(c1O)F)F)Br ACT11824 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.3 Cc1c(cccc1Br)N ACT00146 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 Cc1cccc(c1F)F ACT00316 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.3 c1cc(c(c(c1)F)Cl)N ACT00089 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.34 Cc1cc(cc(c1)Br)O ACT00270 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.34 c1c(cc(cc1Br)Br)Br ACT03250 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.34 c1c(cc(cc1F)Br)O ACT11630 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.34 c1c(cc(cc1O)O)O ACT13445 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.34 c1c(cc(cc1O)O)O ACT13446 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 Cc1cc(ccc1N)I ACT06479 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 Cc1cc(cnc1F)N ACT11393 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 Cc1cnc(c(n1)C)C ACT06611 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br ACT04662 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.8 c1c(cc(c(c1C=O)O)Br)Cl ACT04655 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.8 c1c(cc(c(c1C=O)O)Cl)Cl ACT04664 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.8 c1c(cc(c(c1C=O)O)Cl)F ACT04644 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.8 c1c(cc(c(c1C=O)O)F)Br ACT04649 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.8 c1c(cc(c(c1C=O)O)F)Cl ACT04647 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.8 c1c(cc(c(c1C=O)O)F)F ACT04634 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.8 c1c(cc(c(c1C=O)O)I)I ACT04665 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.464 Cc1cc(cc(c1C=O)C)O ACT01019 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.464 c1c(cc(c(c1F)CO)F)Br ACT09885 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.4 Cc1cc(ccn1)N ACT01463 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.4 Cc1cc(cnc1)Br ACT06735 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.4 Cc1cc(cnc1)N ACT06734 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.4 Cc1cccc(c1)I ACT05470 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.4 Cc1cccc(n1)Br ACT01537 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 Cc1cccc(n1)Cl ACT01505 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 Cc1cccc(n1)N ACT01440 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 Cc1cccc(n1)O ACT06907 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 Cc1ccnc(c1)Br ACT04704 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 Cc1ccnc(c1)N ACT11127 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.4 Cc1ccnc(c1)O ACT08283 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.4 c1cc(cc(c1)F)N ACT05075 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.4 c1cc(cc(c1)I)N ACT11585 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.4 c1cc(cc(c1)I)O ACT00797 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.4 c1cc(cc(c1)O)N ACT04954 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.4 c1cc(cc(c1)O)N ACT07279 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 Cc1c(cccn1)O ACT01461 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.5 Cc1ccccc1I ACT05468 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.5 Cc1cccnc1Br ACT06975 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 Cc1cccnc1N ACT04697 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.5 Cc1ccncc1N ACT01358 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.5 Cc1cnccc1N ACT01603 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.5 c1cc(c(nc1)F)O ACT07366 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.5 c1cc(c(nc1)I)O ACT11077 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.5 c1cc(c(nc1)O)N ACT01552 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.5 c1ccc(c(c1)N)I ACT07811 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.5 c1ccc(c(c1)O)I ACT05465 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.5 c1ccc(c(c1)S)S ACT11907 [2,0,0,0,0,0|1,1,0]=4 100 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [2,0,0,0,0,0|1,0,0]=3 101 B8R1.3 Cc1ccc(cc1)I ACT13438 [2,0,0,0,0,0|1,0,0]=3 102 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.3 Cc1ccc(cn1)O ACT05416 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.3 Cc1ccc(nc1)O ACT03720 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.3 c1cc(ccc1Br)Br ACT03271 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.3 c1cc(ccc1Br)I ACT05996 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.3 c1cc(ccc1F)Br ACT03427 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.3 c1cc(ccc1F)I ACT00292 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.3 c1cc(ccc1N)I ACT00167 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.3 c1cc(ccc1O)I ACT05464 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.3 c1cc(ncc1Br)O ACT01650 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.3 c1cc(ncc1N)O ACT04951 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.3 c1cc(ncc1O)Br ACT05329 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.3 c1cc(ncc1O)Cl ACT01291 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.3 c1cc(ncc1O)F ACT01454 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.3 c1cc(ncc1O)N ACT01298 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.2 Cc1cccc(c1C)NN ACT07154 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [1,1,0,0,0,0|0,0,1]=3 122 B10R1.2 c1cc(c(c(c1)Br)O)C=O ACT03518 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.2 c1cc(c(c(c1)Cl)O)C=O ACT04631 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.245 Cc1cccc(c1NN)C ACT07688 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.8 Cc1cc(cc(c1)F)C#N ACT11845 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.8 Cc1cc(cc(c1)NN)C ACT08450 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.8 c1c(cc(cc1Cl)Cl)CN ACT00776 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.30 COc1cc(ccc1Br)O ACT11735 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.30 COc1cc(ccc1N)Br ACT00157 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.118 c1c(c(cc(c1Br)F)Cl)O ACT08888 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.118 c1c(c(cc(c1Br)I)F)O ACT04590 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O ACT06780 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.176 Cc1cc(ccc1Br)C#N ACT11833 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.235 COc1cc(cc(c1O)C=O)Br ACT04656 [0,2,0,0,0,0|1,0,1]=4 157 B12R1.511 Cc1cc(cc(c1O)[N+](=O)[O-])Br ACT09214 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)N ACT04933 [0,2,0,0,0,0|1,0,1]=4 159 B8R1.18 Cc1cc(c(o1)C)S ACT06481 [1,0,0,0,1,0|2,0,0]=4