0 B8R1.2 C#Cc1ccccc1 ACT08960 [0,0,0,0,0,0|1,0,1]=2 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 C#Cc1ccncc1 ACT01287 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.2 COc1ccccn1 ACT06584 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 COc1ccncc1 ACT01615 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 COc1cnccn1 ACT06613 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 CSc1cnccn1 ACT01756 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 c1cc(cnc1)C#N ACT05843 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.2 c1ccc(cc1)CS ACT06261 [0,0,0,0,0,0|0,1,0]=1 11 B8R1.2 c1ccnc(c1)C#N ACT05842 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,0,0,0,0,0|1,0,2]=3 13 B8R1.2 c1cnc(cn1)C#N ACT11023 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.2 c1cnc(cn1)CN ACT11863 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 c1cnc(cn1)NN ACT08309 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 c1cnccc1C#N ACT01368 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.2 c1cnccc1C=O ACT05935 [0,0,0,0,0,0|1,0,2]=3 18 B8R1.2 c1cnccc1CO ACT05965 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 Cc1cnccn1 ACT06608 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.3 Cc1cncnc1 ACT01372 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 c1c(cncn1)Br ACT01658 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 c1c(cncn1)Cl ACT01272 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [1,0,0,0,0,0|2,0,1]=4 24 B7R1.3 c1cc(cnc1)Br ACT01584 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 c1cc(cnc1)Cl ACT01563 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 c1cc(cnc1)I ACT07335 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 c1cc(cnc1)N ACT09740 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 c1cc(cnc1)O ACT07256 [1,0,0,0,0,0|1,0,0]=2 29 B7R1.3 c1ccc(cc1)Br ACT03428 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.3 c1ccc(cc1)I ACT05473 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.3 c1ccc(cc1)P ACT04087 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 c1ccnc(c1)Br ACT05539 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 c1ccnc(c1)F ACT01456 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 c1ccnc(c1)I ACT09780 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 c1ccnc(c1)N ACT09785 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 c1ccnc(c1)O ACT08592 [1,0,0,0,0,0|1,0,0]=2 37 B7R1.3 c1ccnc(c1)S ACT05649 [1,0,0,0,0,0|1,1,0]=3 38 B7R1.3 c1cnc(cn1)Br ACT01757 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 c1cnc(cn1)Cl ACT11007 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.3 c1cnc(cn1)N ACT01748 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.3 c1cnc(cn1)S ACT06620 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.3 c1cnc(nc1)Br ACT04714 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 c1cnc(nc1)I ACT06633 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 c1cnccc1Br ACT03436 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 c1cnccc1Cl ACT01622 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 c1cnccc1N ACT05167 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 c1cnccc1O ACT05166 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.3 c1cnccc1O ACT09926 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 c1cnccc1S ACT05165 [1,0,0,0,0,0|1,1,0]=3 50 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,1,0,0,0,0|1,0,1]=3 52 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 COc1ccc(cn1)O ACT11358 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,1,0,0,0,0|1,0,1]=3 58 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,1,0,0,0,0|0,0,2]=3 64 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,1,0,0,0,0|0,0,0]=1 65 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.2 C#Cc1cc(cnc1)Cl ACT09548 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.2 C#Cc1cccc(c1)N ACT00085 [0,1,0,0,0,0|1,0,1]=3 80 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 COc1cc(cnc1)Br ACT10406 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 COc1cccc(c1)Br ACT04958 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 COc1cccc(c1)S ACT04985 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 COc1cccc(n1)Br ACT05651 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 COc1cccc(n1)Cl ACT10158 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 COc1cccc(n1)N ACT01441 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 COc1ccnc(c1)N ACT04461 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 Cc1cccc(c1)C#C ACT10255 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.2 Cc1cccc(c1)NN ACT08527 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 Cc1cccc(n1)C#N ACT01521 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.2 Cc1cccc(n1)C=O ACT01662 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.2 c1c(cncc1Br)C=O ACT01654 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.2 c1c(cncc1Br)CO ACT01585 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.2 c1c(cncc1Cl)CO ACT07609 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [0,1,0,0,0,0|0,0,0]=1 103 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 c1cnc(cc1C#N)Br ACT01529 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.2 c1cnc(cc1C#N)Cl ACT01347 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.2 c1cnc(cc1C#N)N ACT01292 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.2 c1cnc(cc1CN)Br ACT11159 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.2 c1cnc(cc1CO)Br ACT05523 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.2 c1cnc(cc1Cl)C#N ACT04438 [0,1,0,0,0,0|2,0,1]=4 120 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.6 B(c1cccnc1)(O)O ACT01359 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.6 B(c1ccncc1)(O)O ACT04727 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.6 B(c1cncnc1)(O)O ACT05283 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,1,0,0,0,0|1,0,2]=4 127 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,1,0,0,0,0|1,0,2]=4 128 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,1,0,0,0,0|1,0,1]=3 134 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,1,0,0,0,0|1,1,1]=4 135 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,1,0,0,0,0|1,1,1]=4 138 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,1,0,0,0,0|1,0,1]=3 141 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,1,0,0,0,0|1,1,1]=4 142 B9R1.8 C=CCc1ccccc1 ACT11557 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.8 CCOc1cnccn1 ACT06614 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.8 CNCc1ccccc1 ACT05529 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.8 CSSc1ccccc1 ACT06218 [0,1,0,0,0,0|1,1,0]=3 146 B9R1.8 c1cc(cnc1)CCN ACT01355 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.8 c1ccc(cc1)CCBr ACT03430 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.8 c1ccc(cc1)CCCl ACT03431 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.8 c1ccc(cc1)CCS ACT06273 [0,1,0,0,0,0|0,1,0]=2 150 B9R1.8 c1ccnc(c1)CCBr ACT10142 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.8 c1cnccc1CCN ACT01588 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.8 c1cnccc1CCO ACT09815 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.15 C#Cc1ccccc1F ACT10250 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.15 COc1c(cccn1)I ACT04432 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.15 COc1c(cccn1)N ACT07498 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.15 COc1ccccc1Br ACT04851 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.15 Cc1ccccc1C#C ACT10245 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.15 Cc1ccccc1NN ACT08523 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.15 Cc1cccnc1C#N ACT11034 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.15 c1c[nH]cc(c1=O)C#N ACT10532 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,1,0,0,0,0|1,0,2]=4 167 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,1,0,0,0,0|1,0,0]=2 168 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [0,1,0,0,0,0|1,0,1]=3 169 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [0,1,0,0,0,0|1,0,0]=2 172 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [0,1,0,0,0,0|0,0,0]=1 174 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [0,1,0,0,0,0|0,0,0]=1 175 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.15 c1cncc(c1C#N)Cl ACT01326 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.15 c1cncc(c1C#N)F ACT11219 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.15 c1cncc(c1C#N)N ACT04528 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [0,1,0,0,0,0|1,0,2]=4 182 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.1 CCC=CC=CC=O ACT06050 [0,0,1,0,0,0|2,0,0]=3 185 B7R1.1 C#Cc1cccs1 ACT09722 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.1 C#Cc1ccsc1 ACT10036 [0,0,0,0,1,0|2,0,1]=4 187 B7R1.1 CCc1ccco1 ACT06582 [0,0,0,0,1,0|2,0,0]=3 188 B7R1.1 CCc1ccsc1 ACT11601 [0,0,0,0,1,0|2,0,0]=3 189 B7R1.1 CCn1ccnc1 ACT08635 [0,0,0,0,1,0|3,0,0]=4 190 B7R1.1 COc1cccs1 ACT11607 [0,0,0,0,1,0|3,0,0]=4 191 B7R1.1 COc1ccsc1 ACT11613 [0,0,0,0,1,0|3,0,0]=4 192 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,0,0,0,1,0|1,0,2]=4 193 B7R1.1 c1cc(oc1)CO ACT06575 [0,0,0,0,1,0|1,0,0]=2 194 B7R1.1 c1cc(oc1)CS ACT06272 [0,0,0,0,1,0|1,1,0]=3 195 B7R1.1 c1cscc1C=O ACT02286 [0,0,0,0,1,0|1,0,2]=4 196 B7R1.1 c1cscc1CBr ACT02290 [0,0,0,0,1,0|2,0,0]=3 197 B7R1.1 c1cscc1CO ACT10114 [0,0,0,0,1,0|1,0,0]=2 198 B6R1.1 c1ccncc1 ACT11913 [2,0,0,0,0,0|1,0,0]=3 199 B6R1.1 c1cnccn1 ACT06596 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.3 Cc1ccc(cc1)I ACT13438 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.3 Cc1cnc(cn1)C ACT06610 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.3 Cc1cnc(cn1)N ACT09845 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.3 c1cc(ccc1Br)Br ACT03271 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.3 c1cc(ccc1Br)I ACT05996 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.3 c1cc(ccc1F)Br ACT03427 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.3 c1cc(ccc1F)I ACT00292 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.3 c1cc(ccc1N)I ACT00167 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.3 c1cc(ccc1O)I ACT05464 [1,1,0,0,0,0|0,0,0]=2 217 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.3 c1cc(ncc1I)N ACT01433 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.3 c1cc(ncc1N)O ACT04951 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.3 c1cc(ncc1O)F ACT01454 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.3 c1cc(ncc1O)N ACT01298 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.4 Cc1cc(cnc1)Br ACT06735 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.4 Cc1cc(cnc1)N ACT06734 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.4 Cc1cccc(c1)I ACT05470 [1,1,0,0,0,0|0,0,0]=2 238 B8R1.4 Cc1cccc(n1)Br ACT01537 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.4 Cc1cccc(n1)Cl ACT01505 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.4 Cc1cccc(n1)N ACT01440 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.4 Cc1cccc(n1)O ACT06907 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 Cc1cncc(n1)Cl ACT11347 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.4 Cc1cncc(n1)N ACT11343 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.4 Cc1cncc(n1)O ACT11353 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.4 c1c(cncc1Br)Br ACT01356 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.4 c1c(cncc1Br)Cl ACT10151 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.4 c1c(cncc1Cl)N ACT11036 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.4 c1c(cncc1Cl)O ACT08732 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.4 c1c(cncc1F)O ACT05333 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.4 c1cc(cc(c1)F)N ACT05075 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.4 c1cc(cc(c1)I)N ACT11585 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.4 c1cc(cc(c1)I)O ACT00797 [1,1,0,0,0,0|0,0,0]=2 269 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,1,0,0,0,0|0,0,0]=2 270 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,1,0,0,0,0|0,0,0]=2 271 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,1,0,0,0,0|2,0,0]=4 273 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.4 c1cnc(cc1I)F ACT07574 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,1,0,0,0,0|1,0,0]=3 287 B8R1.4 c1cnc(cc1O)N ACT01285 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.5 Cc1c(cccn1)O ACT01461 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.5 Cc1ccccc1I ACT05468 [1,1,0,0,0,0|0,0,0]=2 293 B8R1.5 Cc1cccnc1Br ACT06975 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.5 Cc1cccnc1N ACT04697 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.5 Cc1ccncc1N ACT01358 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.5 Cc1cnccc1N ACT01603 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,1,0,0,0,0|1,0,1]=4 298 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,1,0,0,0,0|1,0,0]=3 304 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,1,0,0,0,0|1,0,0]=3 310 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,1,0,0,0,0|0,0,0]=2 318 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,1,0,0,0,0|0,1,0]=3 319 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.5 c1cncc(c1I)F ACT11381 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.5 c1cncc(c1N)Br ACT01578 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.1 c1c(nc(s1)Br)CO ACT11279 [0,1,0,0,1,0|2,0,0]=4 324 B8R1.7 B(c1ccco1)(O)O ACT08404 [0,1,0,0,1,0|2,0,0]=4 325 B8R1.7 B(c1cccs1)(O)O ACT02304 [0,1,0,0,1,0|2,0,0]=4 326 B8R1.7 B(c1ccsc1)(O)O ACT02269 [0,1,0,0,1,0|2,0,0]=4 327 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [0,1,0,0,1,0|1,0,1]=4 328 B8R1.8 CSCc1ccco1 ACT06193 [0,1,0,0,1,0|1,1,0]=4 329 B8R1.8 c1cc(sc1)\C=N\O ACT09500 [0,1,0,0,1,0|1,0,1]=4 330 B8R1.8 c1cn(cn1)CCO ACT05699 [0,1,0,0,1,0|2,0,0]=4 331 B8R1.11 Cc1c([nH]cn1)CO ACT08028 [0,1,0,0,1,0|2,0,0]=4 332 B8R1.11 Cn1ccnc1CO ACT04493 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.3 C#Cc1ccc(cc1)C#C ACT10634 [0,2,0,0,0,0|1,0,1]=4 335 B10R1.3 C1=CC(=NO)C=CC1=NO ACT05403 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.3 CCc1ccc(cc1)NN ACT08278 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.3 c1cc(ccc1C#N)NN ACT07743 [0,2,0,0,0,0|1,0,1]=4 338 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [0,2,0,0,0,0|1,0,0]=3 339 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.3 c1cc(ccc1CN)CO ACT09568 [0,2,0,0,0,0|0,0,0]=2 341 B10R1.13 B(c1ccc(cc1)Br)(O)O ACT04758 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.13 B(c1ccc(cc1)F)(O)O ACT10993 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.13 B(c1ccc(cc1)N)(O)O ACT11284 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.13 B(c1ccc(cc1)S)(O)O ACT05122 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.13 B(c1ccc(nc1)Br)(O)O ACT05284 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.13 B(c1ccc(nc1)Cl)(O)O ACT05310 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.13 B(c1ccc(nc1)F)(O)O ACT01457 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,2,0,0,0,0|0,0,2]=4 350 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,2,0,0,0,0|0,0,2]=4 351 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,2,0,0,0,0|1,0,0]=3 355 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,2,0,0,0,0|1,0,1]=4 356 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,2,0,0,0,0|0,0,2]=4 359 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,2,0,0,0,0|0,0,1]=3 360 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,2,0,0,0,0|0,1,1]=4 361 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,2,0,0,0,0|1,0,1]=4 364 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,2,0,0,0,0|1,0,1]=4 367 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [0,2,0,0,0,0|1,0,1]=4 371 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [0,2,0,0,0,0|0,0,2]=4 372 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [0,2,0,0,0,0|0,0,2]=4 373 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.25 c1cc(c(cc1Br)Cl)C#N ACT03429 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [0,2,0,0,0,0|1,0,1]=4 377 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [0,2,0,0,0,0|1,0,1]=4 378 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [0,2,0,0,0,0|0,0,2]=4 379 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [0,2,0,0,0,0|0,0,2]=4 381 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [0,2,0,0,0,0|0,0,2]=4 382 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [0,2,0,0,0,0|0,0,2]=4 386 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [0,2,0,0,0,0|0,0,2]=4 388 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.176 Cc1cc(ccc1Br)C#N ACT11833 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [0,2,0,0,0,0|1,0,0]=3 394 B10R1.176 Cc1ccc(cc1Br)C#N ACT11843 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.176 c1cc(c(cc1C#N)Br)F ACT11856 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.176 c1cc(c(cc1C#N)I)N ACT11837 [0,2,0,0,0,0|1,0,1]=4 400 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [0,2,0,0,0,0|0,0,2]=4 405 B10R1.2 Cc1cccc(c1C)NN ACT07154 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [0,2,0,0,0,0|0,0,2]=4 407 B10R1.2 c1cc(c(c(c1)Br)O)C=O ACT03518 [0,2,0,0,0,0|0,0,2]=4 408 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN ACT07570 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.2 c1cc(c(c(c1)Cl)O)C=O ACT04631 [0,2,0,0,0,0|0,0,2]=4 410 B10R1.2 c1cc(c(c(c1)F)F)C#N ACT11860 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [0,2,0,0,0,0|0,0,2]=4 412 B10R1.2 c1cc(c(c(c1)O)Br)C=O ACT05003 [0,2,0,0,0,0|0,0,2]=4 413 B10R1.8 Cc1cc(cc(c1)F)C#N ACT11845 [0,2,0,0,0,0|1,0,1]=4 414 B10R1.8 Cc1cc(cc(c1)NN)C ACT08450 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.8 c1c(cc(cc1Cl)Cl)CN ACT00776 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.8 c1c(cc(cc1Cl)Cl)NN ACT08519 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.8 c1c(cc(cc1F)F)NN ACT08208 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.8 c1c(cc(cc1O)F)C#N ACT11852 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.10 CNCc1cccc(c1)Br ACT09067 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [0,2,0,0,0,0|1,0,0]=3 423 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [0,2,0,0,0,0|0,0,0]=2 424 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.30 Cc1ccc(cc1C#N)Br ACT11861 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.30 c1c(cnc(c1CO)N)Br ACT03787 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [0,2,0,0,0,0|0,0,2]=4 431 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [0,2,0,0,0,0|0,0,2]=4 432 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [0,2,0,0,0,0|0,0,2]=4 433 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [0,2,0,0,0,0|0,0,2]=4 435 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [0,2,0,0,0,0|0,0,0]=2 436 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.113 B(c1cc(cnc1)C)(O)O ACT11754 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.113 B(c1cccc(c1)Cl)(O)O ACT04994 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.113 B(c1cccc(c1)N)(O)O ACT07807 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.113 B(c1ccnc(c1)Cl)(O)O ACT05295 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.113 B(c1ccnc(c1)F)(O)O ACT01451 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,2,0,0,0,0|0,0,2]=4 443 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,2,0,0,0,0|1,0,1]=4 444 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [0,2,0,0,0,0|1,0,1]=4 445 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [0,2,0,0,0,0|1,0,1]=4 446 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [0,2,0,0,0,0|1,0,1]=4 447 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [0,2,0,0,0,0|1,0,1]=4 448 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [0,2,0,0,0,0|1,0,1]=4 449 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] ACT03425 [0,2,0,0,0,0|1,0,1]=4 450 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [0,2,0,0,0,0|0,0,1]=3 451 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] ACT07619 [0,2,0,0,0,0|1,0,1]=4 452 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [0,2,0,0,0,0|0,0,1]=3 453 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,2,0,0,0,0|1,0,1]=4 454 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,2,0,0,0,0|1,0,1]=4 455 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.172 CCc1cccc(n1)CO ACT09077 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.172 COc1cccc(c1)C#C ACT00933 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.172 COc1cccc(c1)NN ACT08057 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.172 c1cc(cc(c1)NN)C#N ACT07384 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.172 c1cc(nc(c1)C#N)CCl ACT09340 [0,2,0,0,0,0|2,0,0]=4 464 B10R1.172 c1cc(nc(c1)C#N)CO ACT09788 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.15 C#CC(c1ccccc1)O ACT09707 [0,2,0,0,0,0|0,0,0]=2 466 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,2,0,0,0,0|1,0,1]=4 468 B10R1.15 COC(=O)c1ccncc1 ACT11792 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [0,2,0,0,0,0|0,0,0]=2 470 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [0,2,0,0,0,0|0,0,0]=2 471 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [0,2,0,0,0,0|0,0,1]=3 472 B10R1.28 CC(C)(c1cccnc1)N ACT10766 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl ACT08905 [0,2,0,0,0,0|1,0,1]=4 474 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl ACT05673 [0,2,0,0,0,0|1,0,1]=4 475 B10R1.28 c1ccc(cc1)S(=O)(=O)N ACT05670 [0,2,0,0,0,0|1,0,1]=4 476 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] ACT10371 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.61 B(c1ccccc1Cl)(O)O ACT04751 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.61 B(c1cccnc1F)(O)O ACT01447 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.61 B(c1cnccc1C)(O)O ACT11755 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,2,0,0,0,0|0,0,2]=4 482 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,2,0,0,0,0|0,0,2]=4 483 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,2,0,0,0,0|0,0,2]=4 484 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,2,0,0,0,0|0,0,2]=4 485 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,2,0,0,0,0|1,0,0]=3 487 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,2,0,0,0,0|1,0,1]=4 488 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,2,0,0,0,0|0,0,2]=4 489 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,2,0,0,0,0|1,0,1]=4 491 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,2,0,0,0,0|1,0,1]=4 492 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,2,0,0,0,0|1,0,1]=4 493 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,2,0,0,0,0|1,0,1]=4 494 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,2,0,0,0,0|1,0,1]=4 495 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,2,0,0,0,0|1,0,1]=4 496 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,2,0,0,0,0|0,0,2]=4 498 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,2,0,0,0,0|0,0,1]=3 499 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [0,2,0,0,0,0|1,0,1]=4 500 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,2,0,0,0,0|1,0,1]=4 501 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,2,0,0,0,0|1,0,1]=4 502 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,2,0,0,0,0|1,0,1]=4 503 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,2,0,0,0,0|1,0,1]=4 504 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,2,0,0,0,0|1,0,1]=4 505 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,2,0,0,0,0|1,0,1]=4 506 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,2,0,0,0,0|1,0,1]=4 508 B10R1.4 C=CCc1ccccc1O ACT04626 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.4 CCNc1ccccc1C ACT11407 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [0,2,0,0,0,0|0,0,0]=2 512 B10R1.17 C=CCOc1ccccc1 ACT11556 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.17 C=C\C=C\c1ccccc1 ACT09093 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.17 CCCCc1ccccn1 ACT09789 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.17 CCCCc1cccnc1 ACT09823 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.17 CNCCc1ccccn1 ACT05580 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.17 CNCCc1ccccn1 ACT05583 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.17 CNCCc1ccncc1 ACT01599 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.17 c1ccc(cc1)C#CC#N ACT11360 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [0,2,0,0,0,0|0,0,0]=2 521 B10R1.18 CC(=O)Cc1ccncc1 ACT03946 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [0,2,0,0,0,0|0,0,1]=3 525 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.20 CCc1ccccc1NN ACT06865 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.20 COc1ccccc1NN ACT12535 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.20 c1cc(c(nc1)CO)CO ACT01669 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.245 Cc1cccc(c1NN)C ACT07688 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.245 c1cc(c(c(c1)Br)C#N)F ACT11849 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl ACT08223 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.245 c1cc(c(c(c1)F)C#N)N ACT11801 [0,2,0,0,0,0|1,0,1]=4 533 B10R1.245 c1cc(c(c(c1)F)C#N)O ACT11844 [0,2,0,0,0,0|1,0,1]=4 534 B10R2.7 B1Oc2ccccc2O1 ACT09441 [0,1,0,1,0,0|1,0,0]=3 535 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [0,1,0,1,0,0|2,0,0]=4 536 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [0,1,0,1,0,0|1,0,1]=4 537 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,0,1,0|2,0,0]=4 538 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,1,0|1,0,0]=3 539 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|2,0,0]=4 540 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|2,0,0]=4 541 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,1,0|2,0,0]=4 542 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,1,0|1,1,0]=4 543 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,1,0|2,0,0]=4