0 B10R1.3 C#Cc1ccc(cc1)C#C ACT10634 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 C1=CC(=NO)C=CC1=NO ACT05403 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.3 CCc1ccc(cc1)NN ACT08278 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.3 COc1ccc(cn1)C=O ACT05370 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.3 COc1ccc(nc1)C=O ACT09131 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.3 c1cc(ccc1C#N)NN ACT07743 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.3 c1cc(ccc1CN)CO ACT09568 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 COc1ccc(cn1)Br ACT01474 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 COc1ccc(cn1)O ACT11358 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.1 COc1cnc(nc1)Cl ACT06635 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 COc1ncc(cn1)Br ACT01648 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.1 c1cc(ccc1C#N)I ACT08158 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.1 c1cc(ccc1CO)N ACT00253 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.3 B(c1ccc(cc1)C=O)(O)O ACT02218 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.3 B(c1ccc(cc1)OC)(O)O ACT05293 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.3 B(c1ccc(nc1)OC)(O)O ACT01472 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.3 CC(C)c1ccc(cc1)C#C ACT09338 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.3 CC(C)c1ccc(cc1)NN ACT06841 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.3 c1cc(ccc1C(=O)N)NN ACT09689 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 c1cc(ccc1C(=O)O)NN ACT07676 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] ACT11889 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.3 c1cc(ncc1C(=O)O)C#N ACT11748 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.83 COc1ccc(cc1)CC#N ACT07150 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [0,1,0,0,0,0|0,0,0]=1 45 B9R1.21 c1cc(oc1CO)C=O ACT06567 [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 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.3 Cc1ccc(cc1)I ACT13438 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.3 Cc1ccc(cn1)O ACT05416 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.3 Cc1ccc(nc1)O ACT03720 [2,0,0,0,0,0|1,0,1]=4 60 B8R1.3 c1cc(ccc1Br)Br ACT03271 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.3 c1cc(ccc1Br)I ACT05996 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.3 c1cc(ccc1F)Br ACT03427 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.3 c1cc(ccc1F)I ACT00292 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.3 c1cc(ccc1N)I ACT00167 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.3 c1cc(ccc1O)I ACT05464 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.3 c1cc(ncc1Br)O ACT01650 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.3 c1cc(ncc1N)O ACT04951 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.3 c1cc(ncc1O)Br ACT05329 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 c1cc(ncc1O)Cl ACT01291 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 c1cc(ncc1O)F ACT01454 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 c1cc(ncc1O)N ACT01298 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [1,1,0,0,0,0|0,0,0]=2 77 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 Cc1ncc(cn1)C(=O)O ACT03826 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [1,1,0,0,0,0|0,1,0]=3 92 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 COc1c[nH]c(=O)[nH]c1=O ACT01410 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.176 Cc1ccc(cc1Br)C#N ACT11843 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.5 COC(=O)c1ccc(cc1)CBr ACT01178 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.48 COc1ccc(cc1F)C(=O)O ACT00302 [0,2,0,0,0,0|0,0,0]=2 123 B12R1.48 Cc1cc(cnc1OC)[N+](=O)[O-] ACT04437 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.48 c1cc(c(cc1[N+](=O)[O-])O)C=O ACT09079 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT01046 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT04225 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O ACT10934 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] ACT04846 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O ACT02199 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.452 CC(=O)c1ccc(cc1F)OC ACT12896 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.452 COc1ccc(c(c1)N)C(=O)O ACT00513 [0,2,0,0,0,0|0,0,0]=2 132 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] ACT10161 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.4 CC(=O)Oc1ccc(cc1)C=C ACT09060 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.4 COc1ccc(cc1)NC(=S)N ACT09320 [0,2,0,0,0,0|0,1,0]=3 135 B12R1.4 c1cc(ccc1CC(=O)O)CBr ACT08017 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.288 CCOc1ccc(c(c1)O)C=O ACT09727 [0,2,0,0,0,0|0,0,0]=2 137 B12R1.78 COc1ccc(cc1OC)C#C ACT09723 [0,2,0,0,0,0|1,0,1]=4 138 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [0,0,1,1,0,0|1,0,1]=4 139 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [0,0,1,1,0,0|2,0,0]=4 140 B12R2.44 COc1ccc2c(c1)CCN2 ACT02538 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.44 COc1ccc2cc[nH]c2c1 ACT02555 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.44 CSc1ccc2c(c1)cc[nH]2 ACT10265 [0,1,0,1,0,0|1,1,0]=4 143 B12R2.44 c1cc2c(cc1C=O)CCO2 ACT04495 [0,1,0,1,0,0|0,0,0]=2 144 B8R1.1 Cc1ccc(o1)C=O ACT06515 [1,0,0,0,1,0|1,0,0]=3 145 B8R1.1 c1cc(oc1C=O)Br ACT11328 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.1 c1cc(sc1C=O)Br ACT08163 [1,0,0,0,1,0|2,0,0]=4 147 B10R1.172 COc1cccc(c1)C#C ACT00933 [0,0,0,0,1,1|1,0,1]=4 148 B10R1.172 COc1cccc(c1)NN ACT08057 [0,0,0,0,1,1|2,0,0]=4 149 B10R1.172 COc1cccc(n1)C=O ACT09827 [0,0,0,0,1,1|1,0,0]=3