0 B11R1.83 CCc1ccc(nc1)CCO ACT04241 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.83 COc1ccc(cc1)CC#N ACT07150 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.3 CCc1ccc(cc1)NN ACT08278 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.3 COc1ccc(cn1)C=O ACT05370 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.3 COc1ccc(nc1)C=O ACT09131 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.3 c1cc(ccc1CN)CO ACT09568 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.4 COc1ccc(cc1)NC(=S)N ACT09320 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT01046 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT04225 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.288 CCOc1ccc(c(c1)O)C=O ACT09727 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.44 COc1ccc2c(c1)CCN2 ACT02538 [0,0,0,1,0,0|1,0,0]=2 14 B12R2.44 COc1ccc2cc[nH]c2c1 ACT02555 [0,0,0,1,0,0|1,0,2]=4 15 B12R2.44 c1cc2c(cc1C=O)CCO2 ACT04495 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.1 COc1ccc(cc1)Br ACT04984 [2,0,0,0,0,0|1,0,0]=3 17 B9R1.1 COc1ccc(cn1)Br ACT01474 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.1 COc1ccc(cn1)O ACT11358 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [2,0,0,0,0,0|0,0,2]=4 20 B9R1.1 Cc1ccc(cc1)NN ACT01152 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.1 c1cc(ccc1C=O)O ACT01156 [2,0,0,0,0,0|1,0,1]=4 22 B9R1.1 c1cc(ccc1CO)N ACT00253 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.8 C=CCc1ccccc1 ACT11557 [2,0,0,0,0,0|0,0,2]=4 24 B9R1.8 CNCc1ccccc1 ACT05529 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.8 CSSc1ccccc1 ACT06218 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 c1cc(cnc1)CCN ACT01355 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 c1ccc(cc1)CCBr ACT03430 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.8 c1ccc(cc1)CCCl ACT03431 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.8 c1ccc(cc1)CCS ACT06273 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 c1ccnc(c1)CCBr ACT10142 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 c1cnccc1CCN ACT01588 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 c1cnccc1CCO ACT09815 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [1,1,0,0,0,0|1,0,1]=4 35 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.3 B(c1ccc(cc1)OC)(O)O ACT05293 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.3 CC(C)c1ccc(cc1)C#C ACT09338 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.3 CC(C)c1ccc(cc1)NN ACT06841 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.5 COc1ccc(cc1)CC(=O)OC ACT09370 [0,2,0,0,0,0|0,0,1]=3 44 B13R1.139 COC(=O)c1ccc(cc1)CCN ACT09860 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.74 CNCCc1ccc(cc1)[N+](=O)[O-] ACT11761 [0,2,0,0,0,0|2,0,0]=4 46 B11R2.34 c1cc(ccc1C2CO2)Br ACT09536 [1,0,0,1,0,0|2,0,0]=4 47 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [1,0,0,1,0,0|1,0,0]=3 48 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [1,0,0,1,0,0|1,0,0]=3 51 B13R2.2121 Cc1cc2ccc(cc2o1)OC ACT10776 [0,1,0,1,0,0|0,0,2]=4 52 B13R2.2130 COc1ccc2c(c1)CCC2=O ACT02583 [0,1,0,1,0,0|0,0,1]=3 53 B13R2.57 COc1ccc2c(c1)CNCC2 ACT01968 [0,1,0,1,0,0|0,0,0]=2 54 B13R2.57 c1cc2c(cc1C#N)CNCC2 ACT11951 [0,1,0,1,0,0|2,0,0]=4