0 B10R1.20 CCc1ccccc1NN ACT06865 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 COc1ccccc1NN ACT12535 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.20 COc1ccncc1C#N ACT05114 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.15 C#Cc1ccccc1F ACT10250 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.15 COc1c(cccn1)I ACT04432 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.15 COc1c(cccn1)N ACT07498 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.15 COc1c(nccn1)Cl ACT10814 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COc1ccc[nH]c1=O ACT09226 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.15 COc1ccccc1Br ACT04851 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 CSc1c(cccn1)Br ACT04436 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.15 Cc1ccccc1C#C ACT10245 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.15 Cc1ccccc1NN ACT08523 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 Cc1cccnc1C#N ACT11034 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 c1c[nH]cc(c1=O)C#N ACT10532 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.37 COc1ccc(cc1C=O)Br ACT11826 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.37 COc1ccc(cc1OC)O ACT11670 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.41 c1ccc(c(c1)CCBr)C=O ACT09315 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.53 B(c1ccccc1C=O)(O)O ACT04732 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.53 B(c1cccnc1OC)(O)O ACT01468 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.53 COc1ccccc1[N+](=O)[O-] ACT10571 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.53 COc1cnccc1C(=O)O ACT01562 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.53 c1ccc(c(c1)C(=O)O)NN ACT08237 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.265 COc1c(cccc1F)C=O ACT00618 [0,1,0,0,0,0|0,0,0]=1 37 B11R1.265 COc1cc[nH]c(=O)c1C#N ACT01571 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.265 COc1cccc(c1C=O)O ACT04673 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.265 COc1ccnc(c1C#N)Cl ACT06367 [0,1,0,0,0,0|2,0,1]=4 40 B9R0.45 CCCC\C=C\C=C\C=O ACT06049 [0,0,1,0,0,0|1,0,2]=4 41 B11R2.1 c1cc2c(nc1)COC2=O ACT04440 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.1 c1ccn2c(c1)n[nH]c2=O ACT03755 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.20 c1ccc2c(c1)NCCN2 ACT02791 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.14 COc1cscc1OC ACT11611 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.14 c1csc(c1C=O)C=O ACT11579 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|1,0,0]=3 48 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 COc1cnccn1 ACT06613 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 c1cc(cnc1)C=O ACT04700 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|0,1,1]=4 52 B8R1.2 c1ccnc(c1)C=O ACT07081 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 c1cnccc1C=O ACT05935 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 Cc1c(cccn1)O ACT01461 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.5 Cc1ccccc1I ACT05468 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.5 Cc1cccnc1Br ACT06975 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 Cc1cccnc1N ACT04697 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.5 Cc1ccncc1N ACT01358 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 Cc1cnccc1N ACT01603 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 c1cc(c(nc1)F)O ACT07366 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 c1cc(c(nc1)I)O ACT11077 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 c1cc(c(nc1)O)N ACT01552 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [2,0,0,0,0,0|1,0,1]=4 69 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 c1ccc(c(c1)N)I ACT07811 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 c1ccc(c(c1)O)I ACT05465 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.5 c1ccc(c(c1)S)S ACT11907 [2,0,0,0,0,0|0,2,0]=4 76 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.2 Cc1cccc(c1C)NN ACT07154 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.2 c1cc(c(c(c1)Br)O)C=O ACT03518 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.2 c1cc(c(c(c1)Cl)O)C=O ACT04631 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.2 c1cc(c(c(c1)O)Br)C=O ACT05003 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 COc1c[nH]c(=O)[nH]c1=O ACT01410 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.30 COc1cc(ccc1Br)O ACT11735 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.30 COc1cc(ccc1N)Br ACT00157 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.30 COc1cc(cnc1Cl)N ACT10225 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.30 Cc1ccc(cc1C#N)Br ACT11861 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.61 CC(=O)c1ccccc1F ACT10960 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.61 CC(=O)c1ccccc1N ACT05476 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.61 CC(=O)c1ccccc1O ACT05307 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.61 CC(c1ccccc1O)N ACT10543 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.61 Cc1ccncc1[N+](=O)[O-] ACT01361 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.61 Cc1cnccc1[N+](=O)[O-] ACT04433 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [1,1,0,0,0,0|1,1,0]=4 129 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.61 c1cncc(c1O)[N+](=O)[O-] ACT07023 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.245 Cc1cccc(c1NN)C ACT07688 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.245 c1cc(c(c(c1)F)C#N)O ACT11844 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.245 c1cnc(c(c1Cl)C=O)Cl ACT11372 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O ACT09332 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.78 COc1ccc(cc1OC)C#C ACT09723 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.75 COc1ccccc1NC(=S)N ACT11883 [0,2,0,0,0,0|0,1,0]=3 148 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N ACT11972 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.121 COc1ccccc1OCCN ACT03573 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.283 CCOc1ccccc1C(=O)N ACT09023 [0,2,0,0,0,0|0,0,0]=2 151 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] ACT00694 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O ACT04959 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] ACT11918 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.437 CC(=O)c1c(cccc1OC)O ACT00341 [0,2,0,0,0,0|0,0,0]=2 155 B12R1.1879 COc1cccc(c1OC)OC ACT04976 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,0,1,1,0,0|2,0,0]=4 157 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,0,1,1,0,0|2,0,0]=4 158 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,0,1,1,0,0|2,0,0]=4 159 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,0,1,1,0,0|2,0,0]=4 160 B10R2.7 B1Oc2ccccc2O1 ACT09441 [1,0,0,1,0,0|1,0,1]=4 161 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 ACT02582 [0,1,0,1,0,0|1,0,0]=3 162 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,1,0,0|1,0,0]=3 163 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,1,0,1,0,0|1,0,0]=3 164 B12R2.612 c1cc2c(cc1Br)OCC2N ACT10671 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,1,0,1,0,0|1,0,0]=3 166 B12R2.612 c1cc2c(cc1Cl)COC2=O ACT09470 [0,1,0,1,0,0|2,0,0]=4 167 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,1,0,0|1,0,0]=3 168 B12R2.1 c1ccc2c(c1)c(no2)CO ACT09157 [0,1,0,1,0,0|1,0,1]=4 169 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,1,0,0|1,0,0]=3 170 B12R2.315 C=Cc1cccc2c1CCO2 ACT11037 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.315 COc1cccc2c1[nH]cc2 ACT02567 [0,1,0,1,0,0|1,0,0]=3 172 B12R2.315 COc1cccc2c1cc[nH]2 ACT02514 [0,1,0,1,0,0|1,0,0]=3 173 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 ACT09162 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.2028 c1ccc2c(c1)C(=O)OI2O ACT08156 [0,1,0,1,0,0|2,0,0]=4 175 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O ACT12043 [0,1,0,1,0,0|2,0,0]=4 176 B12R2.196 c1cc2c(c(c1)Br)CCC2=O ACT02584 [0,1,0,1,0,0|1,0,0]=3 177 B12R2.196 c1cc2c(c(c1)Br)CNC2=O ACT09557 [0,1,0,1,0,0|2,0,0]=4 178 B12R2.196 c1cc2c(c(c1)Br)COC2=O ACT05320 [0,1,0,1,0,0|2,0,0]=4 179 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,1,0,0|1,0,0]=3 180 B12R2.196 c1cc2c(c(c1)O)CCC2=O ACT10816 [0,1,0,1,0,0|1,0,0]=3 181 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,1,0,1,0,0|1,0,0]=3 182 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,1,0,0|1,0,0]=3