0 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 Cc1cc(ccc1N)I ACT06479 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [0,0,0,0,0,0|3,1,0]=4 13 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [0,0,0,0,0,0|3,1,0]=4 14 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.69 Cc1cc(cnc1F)N ACT11393 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F ACT11737 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 c1c(c([nH]c(=O)n1)N)I ACT11320 [0,0,0,0,0,0|2,1,1]=4 23 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [0,0,0,0,0,0|2,1,1]=4 24 B9R1.69 c1c(c(cnc1Cl)N)Cl ACT10147 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 c1c(c(nc(=O)[nH]1)N)F ACT11644 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.69 c1c(c(nc(n1)Cl)Cl)F ACT01407 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 c1c(cnc(c1Br)Cl)F ACT08977 [0,0,0,0,0,0|3,1,0]=4 28 B9R1.69 c1c(cnc(c1Br)F)Cl ACT05339 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 c1c(cnc(c1N)N)Br ACT01378 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [0,0,0,0,0,0|2,1,0]=3 32 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [0,0,0,0,0,0|2,1,0]=3 34 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [0,0,0,0,0,0|2,1,0]=3 35 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [0,0,0,0,0,0|2,1,0]=3 40 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [0,0,0,0,0,0|1,0,0]=1 42 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [0,0,0,0,0,0|1,1,0]=2 45 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.69 c1cc(nc(c1I)Cl)Br ACT11380 [0,0,0,0,0,0|3,1,0]=4 47 B9R1.69 c1cc(nc(c1N)Cl)Br ACT07346 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [1,0,0,0,0,0|1,1,0]=3 49 B8R1.3 Cc1ccc(cc1)I ACT13438 [1,0,0,0,0,0|1,1,0]=3 50 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.3 c1cc(ccc1Br)Br ACT03271 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.3 c1cc(ccc1Br)I ACT05996 [1,0,0,0,0,0|1,1,0]=3 60 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [1,0,0,0,0,0|1,1,0]=3 61 B8R1.3 c1cc(ccc1F)Br ACT03427 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.3 c1cc(ccc1F)I ACT00292 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.3 c1cc(ccc1N)I ACT00167 [1,0,0,0,0,0|1,1,0]=3 64 B8R1.3 c1cc(ccc1O)I ACT05464 [1,0,0,0,0,0|0,1,0]=2 65 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,0,0,0,0,0|2,1,0]=4 66 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,0,0,0,0,0|2,1,0]=4 67 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,0,0,0,0,0|1,1,0]=3 71 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,0,0,0,0,0|2,1,0]=4 72 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,0,0,0,0,0|2,1,0]=4 74 B8R1.3 c1cc(ncc1I)N ACT01433 [1,0,0,0,0,0|2,1,0]=4 75 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,0,0,0,0,0|2,1,0]=4 77 B8R1.3 c1cc(ncc1N)O ACT04951 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,0,0,0,0,0|1,1,0]=3 79 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,0,0,0,0,0|1,1,0]=3 80 B8R1.3 c1cc(ncc1O)F ACT01454 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.3 c1cc(ncc1O)N ACT01298 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.4 Cc1cc(cnc1)Br ACT06735 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.4 Cc1cc(cnc1)N ACT06734 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.4 Cc1cccc(c1)I ACT05470 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.4 Cc1cccc(n1)Br ACT01537 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.4 Cc1cccc(n1)Cl ACT01505 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.4 Cc1cccc(n1)N ACT01440 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.4 Cc1cccc(n1)O ACT06907 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.4 Cc1cncc(n1)N ACT11343 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.4 Cc1cncc(n1)O ACT11353 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.4 c1c(cncc1Br)Br ACT01356 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.4 c1c(cncc1Br)Cl ACT10151 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.4 c1c(cncc1Br)F ACT01290 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.4 c1c(cncc1Br)F ACT01290 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.4 c1c(cncc1Br)N ACT01375 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.4 c1c(cncc1Br)N ACT01375 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.4 c1c(cncc1Br)O ACT10407 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.4 c1c(cncc1Br)O ACT10407 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.4 c1c(cncc1Cl)N ACT11036 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.4 c1c(cncc1Cl)O ACT08732 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.4 c1c(cncc1F)O ACT05333 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [1,0,0,0,0,0|1,0,0]=2 112 B8R1.4 c1cc(cc(c1)F)N ACT05075 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.4 c1cc(cc(c1)I)N ACT11585 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.4 c1cc(cc(c1)I)O ACT00797 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,0,0,0,0,0|0,0,0]=1 117 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,0,0,0,0,0|0,0,0]=1 118 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,0,0,0,0,0|2,0,0]=3 120 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,0,0,0,0,0|1,0,0]=2 125 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,0,0,0,0,0|2,0,0]=3 131 B8R1.4 c1cnc(cc1I)F ACT07574 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.4 c1cnc(cc1O)N ACT01285 [1,0,0,0,0,0|1,0,0]=2 135 B8R1.4 c1cnc(nc1Br)N ACT04459 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.4 c1cnc(nc1Cl)N ACT01381 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 138 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 139 B8R1.5 Cc1c(cccn1)O ACT01461 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.5 Cc1ccccc1I ACT05468 [1,0,0,0,0,0|1,1,0]=3 142 B8R1.5 Cc1cccnc1Br ACT06975 [1,0,0,0,0,0|2,1,0]=4 143 B8R1.5 Cc1cccnc1N ACT04697 [1,0,0,0,0,0|2,0,0]=3 144 B8R1.5 Cc1ccncc1N ACT01358 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.5 Cc1cnccc1N ACT01603 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,0,0,0,0,0|2,1,0]=4 147 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,0,0,0,0,0|1,1,0]=3 148 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,0,0,0,0,0|2,1,0]=4 149 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,0,0,0,0,0|2,1,0]=4 151 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,0,0,0,0,0|2,0,0]=3 152 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,0,0,0,0,0|2,1,0]=4 155 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,0,0,0,0,0|1,1,0]=3 156 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,0,0,0,0,0|2,1,0]=4 158 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,0,0,0,0,0|2,0,0]=3 159 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [1,0,0,0,0,0|2,1,0]=4 160 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,0,0,0,0,0|3,0,0]=4 161 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [1,0,0,0,0,0|1,1,0]=3 162 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [1,0,0,0,0,0|1,1,0]=3 163 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [1,0,0,0,0,0|1,1,0]=3 164 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,0,0,0,0,0|0,1,0]=2 165 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,0,0,0,0,0|0,1,0]=2 166 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,0,0,0,0,0|1,1,0]=3 167 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,0,0,0,0,0|2,1,0]=4 169 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,0,0,0,0,0|2,1,0]=4 170 B8R1.5 c1cncc(c1I)F ACT11381 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.5 c1cncc(c1N)Br ACT01578 [1,0,0,0,0,0|1,1,0]=3 172 B10R1.22 Cc1cc(c(c(c1)C)O)C ACT04701 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.22 Cc1cc(cc(c1N)C)Br ACT09535 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.22 Cc1cc(cc(c1O)Cl)Br ACT00271 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br ACT03074 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.22 c1c(cc(c(c1O)F)F)Br ACT11824 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.25 c1cc(c(cc1Br)Cl)C#N ACT03429 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,1,0,0,0,0|1,1,0]=3 197 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.30 Cc1ccc(cc1C#N)Br ACT11861 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [0,1,0,0,0,0|2,1,0]=4 203 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [0,1,0,0,0,0|1,1,0]=3 205 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [0,1,0,0,0,0|2,1,0]=4 207 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.118 c1c(c(cc(c1Br)F)Cl)O ACT08888 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.118 c1c(c(cc(c1Br)F)F)N ACT09739 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.118 c1c(c(cc(c1Br)I)F)O ACT04590 [0,1,0,0,0,0|1,1,0]=3 211 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O ACT06780 [0,1,0,0,0,0|1,1,0]=3 212 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl ACT09027 [0,1,0,0,0,0|2,1,0]=4 213 B10R1.118 c1c(c(nc(c1F)N)N)F ACT09398 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.119 c1cc(c(c(c1O)F)F)Br ACT11825 [0,1,0,0,0,0|1,1,0]=3 215 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,1,0,0,0,0|0,1,0]=2 216 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,1,0,0,0,0|0,1,0]=2 217 B10R1.176 Cc1cc(ccc1Br)C#N ACT11833 [0,1,0,0,0,0|2,1,0]=4 218 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,1,0,0,0,0|1,1,0]=3 219 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.176 Cc1ccc(cc1Br)C#N ACT11843 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.176 c1cc(c(cc1C#N)Br)F ACT11856 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.176 c1cc(c(cc1C#N)I)N ACT11837 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [0,1,0,0,0,0|2,1,0]=4 228 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [0,1,0,0,0,0|2,0,0]=3 231 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|1,1,0]=4 232 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|1,1,0]=4 233 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|1,1,0]=4 234 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|1,0,0]=3 235 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|1,0,0]=3 236 B7R1.3 c1ccc(cc1)Br ACT03428 [2,0,0,0,0,0|0,1,0]=3 237 B7R1.3 c1ccc(cc1)I ACT05473 [2,0,0,0,0,0|0,1,0]=3 238 B7R1.3 c1ccc(cc1)P ACT04087 [2,0,0,0,0,0|0,1,0]=3 239 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|1,1,0]=4 240 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|1,0,0]=3 241 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|1,1,0]=4 242 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|1,0,0]=3 243 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,0,0]=3 244 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,1,0]=4 245 B7R1.3 c1cnc(cn1)N ACT01748 [2,0,0,0,0,0|2,0,0]=4 246 B7R1.3 c1cnccc1Br ACT03436 [2,0,0,0,0,0|1,1,0]=4 247 B7R1.3 c1cnccc1Cl ACT01622 [2,0,0,0,0,0|1,1,0]=4 248 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|1,0,0]=3 249 B7R1.3 c1cnccc1O ACT05166 [2,0,0,0,0,0|1,0,0]=3 250 B7R1.3 c1cnccc1O ACT09926 [2,0,0,0,0,0|1,0,0]=3 251 B7R1.3 c1cnccc1S ACT05165 [2,0,0,0,0,0|1,1,0]=4 252 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [1,1,0,0,0,0|1,1,0]=4 253 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,1,0,0,0,0|1,1,0]=4 256 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,1,0,0,0,0|0,1,0]=3 257 B9R1.1 COc1ccc(cn1)Br ACT01474 [1,1,0,0,0,0|1,1,0]=4 258 B9R1.1 COc1ccc(cn1)O ACT11358 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [1,1,0,0,0,0|1,1,0]=4 262 B9R1.1 c1cc(ccc1C#N)I ACT08158 [1,1,0,0,0,0|1,1,0]=4 263 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,1,0,0,0,0|1,0,0]=3 264 B9R1.1 c1cc(ccc1CO)N ACT00253 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,1,0,0,0,0|1,1,0]=4 266 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,1,0,0,0,0|1,1,0]=4 267 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.1 c1cc(ncc1CO)Br ACT07897 [1,1,0,0,0,0|1,1,0]=4 269 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [1,1,0,0,0,0|1,1,0]=4 270 B9R1.2 C#Cc1cccc(c1)N ACT00085 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.2 COc1cc(ccn1)Br ACT01471 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.2 COc1cccc(c1)Br ACT04958 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.2 COc1cccc(c1)S ACT04985 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.2 COc1cccc(n1)Br ACT05651 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 COc1cccc(n1)Cl ACT10158 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.2 COc1cccc(n1)N ACT01441 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.2 COc1ccnc(c1)N ACT04461 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.2 Cc1cccc(c1)C#C ACT10255 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.2 Cc1cccc(n1)CO ACT07360 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 c1c(cncc1Br)CO ACT01585 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.2 c1c(cncc1Cl)CO ACT07609 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [1,1,0,0,0,0|1,0,1]=4 286 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [1,1,0,0,0,0|1,0,1]=4 287 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [1,1,0,0,0,0|1,0,1]=4 293 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 c1cnc(cc1C#N)N ACT01292 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.2 c1cnc(cc1CN)Br ACT11159 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.2 c1cnc(cc1CO)Br ACT05523 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.3 Cc1c(cccc1Br)N ACT00146 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.3 Cc1cccc(c1F)F ACT00316 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.3 c1cc(c(c(c1)F)Cl)N ACT00089 [1,1,0,0,0,0|1,0,0]=3 306 B9R1.34 Cc1cc(cc(c1)Br)O ACT00270 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.34 c1c(cc(cc1Br)Br)Br ACT03250 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.34 c1c(cc(cc1F)Br)O ACT11630 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.34 c1c(cc(cc1O)O)O ACT13445 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.34 c1c(cc(cc1O)O)O ACT13446 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.34 c1c(cc(nc1N)Cl)Cl ACT01313 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.34 c1c(cc(nc1N)N)Br ACT09551 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.15 C#Cc1ccccc1F ACT10250 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.15 COc1c(cccn1)N ACT07498 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.15 COc1ccccc1Br ACT04851 [1,1,0,0,0,0|1,1,0]=4 316 B9R1.15 Cc1ccccc1C#C ACT10245 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.15 Cc1ccccc1NN ACT08523 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [1,1,0,0,0,0|1,1,0]=4 319 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,1,0,0,0,0|0,1,1]=4 322 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,1,0,0,0,0|0,1,1]=4 323 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,1,0,0,0,0|1,1,0]=4 325 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,1,0,0,0,0|1,1,0]=4 327 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,1,0,0,0,0|0,1,0]=3 329 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,1,0,0,0,0|0,1,0]=3 330 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,1,0,0,0,0|0,0,0]=2 331 B9R1.15 c1cncc(c1C#N)F ACT11219 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.15 c1cncc(c1C#N)N ACT04528 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.464 Cc1cc(cc(c1C=O)C)O ACT01019 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.37 COc1ccc(cc1OC)O ACT11670 [0,2,0,0,0,0|2,0,0]=4 335 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.277 Cc1cc(c(cc1Br)F)C#N ACT00373 [0,2,0,0,0,0|1,0,1]=4 339 B11R1.277 Cc1cc(c(cc1Br)F)C=O ACT01053 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.277 Cc1cc(c(cc1Cl)C=O)O ACT09554 [0,2,0,0,0,0|1,1,0]=4 341 B11R1.277 c1c(c(cc(c1F)F)Br)C#N ACT11829 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O ACT00628 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.277 c1c(c(cc(c1F)F)O)C=O ACT04636 [0,2,0,0,0,0|1,0,0]=3 344 B11R1.278 COc1ccc(c(c1I)F)F ACT10650 [0,2,0,0,0,0|1,0,0]=3 345 B11R1.278 c1cc(c(c(c1C#N)F)F)O ACT11854 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.278 c1cc(c(c(c1C=O)O)F)F ACT04639 [0,2,0,0,0,0|1,0,1]=4 347 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.72 c1cc(c(c(c1F)C=O)O)F ACT04643 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.167 B(c1cc(ccc1F)Cl)(O)O ACT07952 [0,2,0,0,0,0|2,0,0]=4 350 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O ACT07487 [0,2,0,0,0,0|1,0,1]=4 351 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F ACT00335 [0,2,0,0,0,0|1,0,1]=4 352 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,2,0,0,0,0|1,0,0]=3 354 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N ACT07484 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.280 COc1cc(ccc1Br)CO ACT09102 [0,2,0,0,0,0|1,1,0]=4 356 B11R1.280 COc1cc(ccc1F)C#N ACT11830 [0,2,0,0,0,0|2,0,0]=4 357 B11R1.280 COc1ccc(c(c1)C=O)O ACT04672 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.280 COc1ccc(c(c1)OC)N ACT00098 [0,2,0,0,0,0|2,0,0]=4 359 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O ACT04734 [0,2,0,0,0,0|1,1,0]=4 360 B11R1.21 Cc1cc(ccc1F)C(=O)O ACT11820 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N ACT04896 [0,2,0,0,0,0|2,0,0]=4 362 B11R1.21 c1cc(c(cc1C(=O)O)F)O ACT11803 [0,2,0,0,0,0|2,0,0]=4 363 B11R1.21 c1cc(c(cc1C(=O)O)I)N ACT05411 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F ACT00913 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F ACT00585 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.12 c1cc(oc1)\C=C\C=O ACT01881 [0,0,1,1,0,0|2,0,0]=4 367 B11R2.36 c1cc(cc2c1cc[nH]2)Br ACT02481 [0,1,0,1,0,0|2,0,0]=4 368 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [0,1,0,1,0,0|2,0,0]=4 369 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [0,1,0,1,0,0|1,0,0]=3 370 B11R2.36 c1cc2cn[nH]c2cc1Br ACT06505 [0,1,0,1,0,0|2,0,0]=4