0 B8R1.2 C#Cc1ccccc1 ACT08960 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C#Cc1ccccn1 ACT09195 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnc1 ACT01363 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 COc1ccccn1 ACT06584 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.2 COc1ccncc1 ACT01615 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 COc1cnccn1 ACT06613 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.2 CSc1cnccn1 ACT01756 [0,0,0,0,0,0|0,1,0]=1 7 B8R1.2 c1cc(cnc1)C#N ACT05843 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 c1ccc(cc1)CS ACT06261 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 c1ccnc(c1)C#N ACT05842 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 c1cnc(cn1)C#N ACT11023 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 c1cnc(cn1)CN ACT11863 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 c1cnc(cn1)NN ACT08309 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 Cc1cnccn1 ACT06608 [1,0,0,0,0,0|0,0,0]=1 16 B7R1.3 Cc1cncnc1 ACT01372 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 c1c(cncn1)Br ACT01658 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 c1c(cncn1)Cl ACT01272 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.3 c1cc(cnc1)Br ACT01584 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 c1cc(cnc1)Cl ACT01563 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 c1cc(cnc1)I ACT07335 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 c1cc(cnc1)N ACT09740 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 c1cc(cnc1)O ACT07256 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 c1ccc(cc1)Br ACT03428 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 c1ccc(cc1)I ACT05473 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 c1ccc(cc1)P ACT04087 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 c1ccnc(c1)Br ACT05539 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 c1ccnc(c1)F ACT01456 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 c1ccnc(c1)I ACT09780 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 c1ccnc(c1)N ACT09785 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.3 c1ccnc(c1)O ACT08592 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.3 c1ccnc(c1)S ACT05649 [1,0,0,0,0,0|1,1,0]=3 34 B7R1.3 c1cnc(cn1)Br ACT01757 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.3 c1cnc(cn1)Cl ACT11007 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.3 c1cnc(cn1)N ACT01748 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 c1cnc(cn1)S ACT06620 [1,0,0,0,0,0|0,1,0]=2 38 B7R1.3 c1cnc(nc1)Br ACT04714 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 c1cnc(nc1)I ACT06633 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 c1cnccc1O ACT05166 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 c1cnccc1O ACT09926 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.1 COc1ccc(cn1)O ACT11358 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 CSc1cnc(cn1)Br ACT07157 [0,1,0,0,0,0|0,1,0]=2 48 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.1 c1c(ncc(n1)N)C#N ACT01755 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 C#Cc1cc(cnc1)Cl ACT09548 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.2 COc1cc(cnc1)Br ACT10406 [0,1,0,0,0,0|1,0,0]=2 64 B9R1.2 COc1cccc(c1)Br ACT04958 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.2 COc1cccc(c1)S ACT04985 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 COc1cccc(n1)Br ACT05651 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.2 COc1cccc(n1)Cl ACT10158 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.2 COc1cccc(n1)N ACT01441 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.2 COc1ccnc(c1)N ACT04461 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 Cc1cccc(n1)C#N ACT01521 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 Cc1cccc(n1)C=O ACT01662 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 c1c(cncc1Br)C=O ACT01654 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 c1c(cncc1Br)CO ACT01585 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 c1c(cncc1Cl)CO ACT07609 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 c1cnc(cc1Cl)C#N ACT04438 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.6 B(c1cccnc1)(O)O ACT01359 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.6 CC(=O)c1cnccn1 ACT06619 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.6 CC(=O)c1ncccn1 ACT09814 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.8 CCOc1cnccn1 ACT06614 [0,1,0,0,0,0|0,0,0]=1 102 B9R1.8 CNCc1ccccc1 ACT05529 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.8 CSSc1ccccc1 ACT06218 [0,1,0,0,0,0|2,1,0]=4 104 B9R1.8 c1cc(cnc1)CCN ACT01355 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.8 c1ccc(cc1)CCBr ACT03430 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.8 c1ccc(cc1)CCCl ACT03431 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.8 c1ccc(cc1)CCS ACT06273 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.8 c1ccnc(c1)CCBr ACT10142 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.15 COc1c(cccn1)I ACT04432 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.15 COc1c(cccn1)N ACT07498 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.15 COc1ccccc1Br ACT04851 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,1,0,0,0,0|1,1,0]=3 115 B9R1.15 Cc1c(nccn1)SC ACT06616 [0,1,0,0,0,0|0,1,0]=2 116 B9R1.15 Cc1cccnc1C#N ACT11034 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,1,0,0,0,0|3,0,0]=4 124 B7R0.1 CCC=CC=CC=O ACT06050 [0,0,1,0,0,0|3,0,0]=4 125 B7R1.1 C#Cc1cccs1 ACT09722 [0,0,0,0,1,0|2,0,1]=4 126 B7R1.1 C#Cc1ccsc1 ACT10036 [0,0,0,0,1,0|2,0,1]=4 127 B7R1.1 CCc1ccco1 ACT06582 [0,0,0,0,1,0|2,0,0]=3 128 B7R1.1 CCc1ccsc1 ACT11601 [0,0,0,0,1,0|2,0,0]=3 129 B7R1.1 CCn1ccnc1 ACT08635 [0,0,0,0,1,0|2,0,0]=3 130 B7R1.1 COc1cccs1 ACT11607 [0,0,0,0,1,0|1,0,0]=2 131 B7R1.1 COc1ccsc1 ACT11613 [0,0,0,0,1,0|1,0,0]=2 132 B7R1.1 c1c(nc[nH]1)C#N ACT08386 [0,0,0,0,1,0|2,0,1]=4 133 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [0,0,0,0,1,0|2,0,1]=4 134 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,0,0,0,1,0|2,0,1]=4 135 B7R1.1 c1cc(oc1)CO ACT06575 [0,0,0,0,1,0|3,0,0]=4 136 B7R1.1 c1cc(oc1)CS ACT06272 [0,0,0,0,1,0|3,0,0]=4 137 B7R1.1 c1csc(n1)C#N ACT11268 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.1 c1cscc1C=O ACT02286 [0,0,0,0,1,0|3,0,0]=4 139 B7R1.1 c1cscc1CBr ACT02290 [0,0,0,0,1,0|3,0,0]=4 140 B7R1.1 c1cscc1CO ACT10114 [0,0,0,0,1,0|3,0,0]=4 141 B6R1.1 c1ccncc1 ACT11913 [2,0,0,0,0,0|1,0,0]=3 142 B6R1.1 c1cnccn1 ACT06596 [2,0,0,0,0,0|0,0,0]=2 143 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.3 Cc1ccc(cc1)I ACT13438 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|1,0,0]=3 146 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,1,0,0,0,0|1,0,0]=3 148 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,1,0,0,0,0|1,0,0]=3 149 B8R1.3 Cc1cnc(cn1)C ACT06610 [1,1,0,0,0,0|0,0,0]=2 150 B8R1.3 Cc1cnc(cn1)N ACT09845 [1,1,0,0,0,0|0,0,0]=2 151 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [1,1,0,0,0,0|1,0,0]=3 153 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [1,1,0,0,0,0|0,0,0]=2 154 B8R1.3 c1cc(ccc1O)I ACT05464 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,1,0,0,0,0|1,0,0]=3 161 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,1,0,0,0,0|2,0,0]=4 163 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.3 c1cc(ncc1I)N ACT01433 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,1,0,0,0,0|2,0,0]=4 166 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.3 c1cc(ncc1N)O ACT04951 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.3 c1cc(ncc1O)F ACT01454 [1,1,0,0,0,0|1,0,0]=3 171 B8R1.3 c1cc(ncc1O)N ACT01298 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.4 Cc1cc(cnc1)Br ACT06735 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.4 Cc1cc(cnc1)N ACT06734 [1,1,0,0,0,0|1,0,0]=3 175 B8R1.4 Cc1cccc(c1)I ACT05470 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.4 Cc1cccc(n1)Br ACT01537 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.4 Cc1cccc(n1)Cl ACT01505 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.4 Cc1cccc(n1)N ACT01440 [1,1,0,0,0,0|1,0,0]=3 179 B8R1.4 Cc1cccc(n1)O ACT06907 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,1,0,0,0,0|1,0,0]=3 184 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.4 Cc1cncc(n1)Cl ACT11347 [1,1,0,0,0,0|0,0,0]=2 186 B8R1.4 Cc1cncc(n1)N ACT11343 [1,1,0,0,0,0|0,0,0]=2 187 B8R1.4 Cc1cncc(n1)O ACT11353 [1,1,0,0,0,0|0,0,0]=2 188 B8R1.4 c1c(cncc1Br)Br ACT01356 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.4 c1c(cncc1Br)Cl ACT10151 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 c1c(cncc1Cl)N ACT11036 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 c1c(cncc1Cl)O ACT08732 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.4 c1c(cncc1F)O ACT05333 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.4 c1cc(cc(c1)I)O ACT00797 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.4 c1cnc(cc1I)F ACT07574 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 c1cnc(cc1O)N ACT01285 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 Cc1c(cccn1)O ACT01461 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.5 Cc1ccccc1I ACT05468 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 Cc1cccnc1Br ACT06975 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.5 Cc1cccnc1N ACT04697 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 Cc1ccncc1N ACT01358 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.5 Cc1cnccc1N ACT01603 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.5 c1cncc(c1I)F ACT11381 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.5 c1cncc(c1N)Br ACT01578 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [0,1,0,0,1,0|2,0,0]=4 247 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [0,1,0,0,1,0|1,0,1]=4 248 B8R1.7 CC(=O)c1ccco1 ACT06495 [0,1,0,0,1,0|2,0,0]=4 249 B8R1.7 CC(=O)c1cccs1 ACT06591 [0,1,0,0,1,0|2,0,0]=4 250 B8R1.7 CC(=O)n1ccnc1 ACT07679 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.8 CNCc1nccs1 ACT08672 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.8 CSCc1ccco1 ACT06193 [0,1,0,0,1,0|1,1,0]=4 253 B8R1.8 c1cn(cn1)CCO ACT05699 [0,1,0,0,1,0|2,0,0]=4 254 B10R1.1 CCOc1cnc(nc1)N ACT09665 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.3 COc1ccc(cn1)C=O ACT05370 [0,2,0,0,0,0|1,0,0]=3 256 B10R1.3 COc1ccc(nc1)C=O ACT09131 [0,2,0,0,0,0|1,0,0]=3 257 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.25 COc1cnc(nc1Cl)Cl ACT01277 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.30 COc1cc(cnc1Cl)N ACT10225 [0,2,0,0,0,0|1,0,0]=3 270 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.172 CCc1cccc(n1)CO ACT09077 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.172 COc1cccc(c1)C#C ACT00933 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.172 COc1cccc(c1)NN ACT08057 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.172 COc1cccc(n1)C=O ACT09827 [0,2,0,0,0,0|1,0,0]=3 277 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,2,0,0,0,0|1,0,0]=3 278 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.28 CC(C)(c1cccnc1)N ACT10766 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.28 C[Si](C)(C)c1ccccn1 ACT08419 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.17 C=CCOc1ccccc1 ACT11556 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.17 CCCCc1ccccn1 ACT09789 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.17 CCCCc1cccnc1 ACT09823 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.17 CNCCc1ccccn1 ACT05580 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.17 CNCCc1ccccn1 ACT05583 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.20 COc1ccccc1NN ACT12535 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [0,2,0,0,0,0|1,0,1]=4 290 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [0,1,0,1,0,0|2,0,0]=4 291 B6R1.2 Cc1[nH]cnn1 ACT04542 [1,0,0,0,1,0|1,0,1]=4 292 B6R1.2 Cc1[nH]nnn1 ACT08262 [1,0,0,0,1,0|2,0,0]=4 293 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,0,1,0|1,0,0]=3 294 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,1,0|0,0,1]=3 295 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|1,0,0]=3 296 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|1,0,0]=3 297 B6R1.2 Cc1nc[nH]n1 ACT11132 [1,0,0,0,1,0|1,0,0]=3 298 B6R1.2 Cn1cncn1 ACT11875 [1,0,0,0,1,0|1,0,0]=3 299 B6R1.2 c1[nH]nc(n1)Br ACT10148 [1,0,0,0,1,0|2,0,0]=4 300 B6R1.2 c1c(cn[nH]1)Cl ACT05129 [1,0,0,0,1,0|2,0,0]=4 301 B6R1.2 c1c(nc[nH]1)Br ACT02022 [1,0,0,0,1,0|1,0,1]=4 302 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,1,0|2,0,0]=4 303 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,1,0|1,1,0]=4 304 B6R1.2 c1cnc([nH]1)N ACT02001 [1,0,0,0,1,0|1,0,1]=4 305 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,1,0|2,0,0]=4