0 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)F ACT11737 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.69 c1c(c(=O)[nH]c(=O)[nH]1)I ACT06642 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.69 c1c(c([nH]c(=O)n1)N)I ACT11320 [0,0,0,0,0,0|0,1,0]=1 3 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.69 c1c(c(cnc1Cl)N)Cl ACT10147 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 c1c(c(nc(=O)[nH]1)N)F ACT11644 [0,0,0,0,0,0|0,0,2]=2 6 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br ACT01288 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.69 c1c(c(nc(n1)Cl)Cl)F ACT01407 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.69 c1c(c(nc(n1)Cl)Cl)I ACT01264 [0,0,0,0,0,0|2,1,1]=4 9 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.3 c1c(cnc(n1)Br)Br ACT01413 [1,0,0,0,0,0|1,1,1]=4 17 B8R1.3 c1c(cnc(n1)Cl)Br ACT01649 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.3 c1c(cnc(n1)Cl)Cl ACT04708 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.3 c1c(cnc(n1)Cl)I ACT11316 [1,0,0,0,0,0|1,1,1]=4 21 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [1,0,0,0,0,0|1,1,1]=4 23 B8R1.3 c1c(cnc(n1)I)Br ACT01645 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.3 c1c(cnc(n1)I)Cl ACT06628 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.3 c1cc(ccc1F)Br ACT03427 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.3 c1cc(ccc1F)I ACT00292 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,0,0,0,0,0|2,1,0]=4 31 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.3 c1cc(ncc1I)N ACT01433 [1,0,0,0,0,0|2,1,0]=4 38 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.3 c1cc(ncc1N)O ACT04951 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.3 c1cc(ncc1O)F ACT01454 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.3 c1cc(ncc1O)N ACT01298 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.4 Cc1cccc(n1)N ACT01440 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.4 c1[nH]c(=O)nc(n1)N ACT11734 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.4 c1cc(cc(c1)F)N ACT05075 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.4 c1cc(cc(c1)I)N ACT11585 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,0,0,0,0,0|1,0,2]=4 62 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.4 c1cnc(cc1I)F ACT07574 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.4 c1cnc(cc1O)N ACT01285 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.4 c1cnc(nc1Br)N ACT04459 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.4 c1cnc(nc1Cl)N ACT01381 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.5 Cc1cccnc1N ACT04697 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.5 Cc1ccncc1N ACT01358 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.5 Cc1cnccc1N ACT01603 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,0,0,0,0,0|2,1,0]=4 79 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,0,0,0,0,0|1,1,1]=4 82 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,0,0,0,0,0|2,1,0]=4 84 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,0,0,0,0,0|2,1,0]=4 85 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,0,0,0,0,0|2,1,0]=4 86 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,0,0,0,0,0|2,1,0]=4 87 B8R1.5 c1cncc(c1I)F ACT11381 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.5 c1cncc(c1N)Br ACT01578 [1,0,0,0,0,0|1,1,0]=3 89 B10R1.25 COc1c[nH]c(=O)[nH]c1=O ACT01410 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.118 c1c(c(cc(c1Br)F)F)N ACT09739 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.118 c1c(c(nc(c1F)N)N)F ACT09398 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.18 c1(c(nc([nH]1)Br)Br)Br ACT07502 [0,0,0,0,1,0|2,1,0]=4 94 B7R1.3 Cc1cncnc1 ACT01372 [2,0,0,0,0,0|1,0,1]=4 95 B7R1.3 c1c(cncn1)Br ACT01658 [2,0,0,0,0,0|0,1,1]=4 96 B7R1.3 c1c(cncn1)Cl ACT01272 [2,0,0,0,0,0|0,1,1]=4 97 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|1,1,0]=4 99 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|1,1,0]=4 100 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|1,1,0]=4 101 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|2,0,0]=4 103 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|2,0,0]=4 106 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|1,0,1]=4 107 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,0,1]=4 108 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,1,0]=4 109 B7R1.3 c1cnc(nc1)Br ACT04714 [2,0,0,0,0,0|1,0,1]=4 110 B7R1.3 c1cnc(nc1)I ACT06633 [2,0,0,0,0,0|1,0,1]=4 111 B7R1.3 c1cnccc1Br ACT03436 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 c1cnccc1Cl ACT01622 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|1,0,0]=3 114 B7R1.3 c1cnccc1O ACT05166 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.3 c1cnccc1O ACT09926 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.3 c1cnccc1S ACT05165 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [1,1,0,0,0,0|1,1,0]=4 118 B9R1.2 c1cnc(cc1CN)Br ACT11159 [1,1,0,0,0,0|2,0,0]=4 119 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,1,0,0,0,0|2,0,0]=4 121 B9R1.15 c1cncc(c1C#N)F ACT11219 [1,1,0,0,0,0|1,0,1]=4 122 B7R1.2 C1=CC(=O)NC1=O ACT09826 [1,0,0,0,1,0|2,0,0]=4