0 B13R2.57 COc1ccc2c(c1)CNCC2 ACT01968 [0,0,0,0,0,0|1,0,3]=4 1 B13R2.57 COc1ccc2ccccc2c1 ACT12030 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.24 Cc1nc2ccccc2nn1 ACT09151 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 c1cc2cc(ccc2nc1)Br ACT10708 [1,0,0,0,0,0|2,0,0]=3 4 B12R2.24 c1cc2cc(ccc2nc1)O ACT04277 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.24 c1cc2cnccc2cc1Br ACT06105 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 c1ccc2c(c1)cc(cn2)Br ACT07937 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] ACT09349 [1,0,0,0,0,0|1,0,1]=3 8 B12R2.24 c1ccc2cc(ccc2c1)Br ACT02955 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 c1ccc2cnc(cc2c1)N ACT01923 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.92 c1cc2ccc(c(c2nc1)O)C=O ACT10718 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)Cl ACT10092 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)O ACT09330 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.112 c1ccc2cc(ccc2c1)CC#N ACT02942 [0,1,0,0,0,0|1,0,1]=3 14 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 ACT11731 [0,1,0,0,0,0|0,0,3]=4 15 B14R2.142 COc1ccc2cccc(c2c1)O ACT10037 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.781 B(c1cc2ccccc2nc1)(O)O ACT06666 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.781 B(c1ccc2ccccc2c1)(O)O ACT11066 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.781 c1cc2cnccc2cc1C(=O)O ACT07195 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.1801 COc1ccc2c(ccnc2c1)Cl ACT03693 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.1801 COc1ccc2c(ccnc2c1)O ACT01918 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.2332 COc1ccc2cc(ccc2c1)Br ACT12022 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.2332 Cc1ccc2cc(ccc2n1)C=O ACT11295 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.2332 Cc1ccc2cc(ccc2n1)CO ACT11311 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.2332 c1cc(nc2c1cc(cc2)Br)C#N ACT10002 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.2332 c1cc(nc2c1cc(cc2)Cl)C#N ACT11092 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.27 COC(=O)C=Cc1ccccc1 ACT05429 [0,0,1,0,0,0|1,0,0]=2 27 B12R2.44 COc1ccc2c(c1)CCN2 ACT02538 [0,0,0,0,1,0|1,0,2]=4 28 B12R2.44 COc1ccc2cc[nH]c2c1 ACT02555 [0,0,0,0,1,0|1,0,0]=2 29 B12R2.44 CSc1ccc2c(c1)cc[nH]2 ACT10265 [0,0,0,0,1,0|1,1,0]=3 30 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACT07844 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.279 COc1ccc(c(c1)O)C=O ACT00666 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.280 COc1ccc(c(c1)C=O)O ACT04672 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.42 CCOC(=O)C=Cc1ccccc1 ACT05462 [0,1,1,0,0,0|1,0,0]=3 34 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O ACT05426 [1,1,0,0,0,0|1,0,1]=4 35 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl ACT04273 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.3683 Cc1ccc2cc(ccc2n1)Br ACT11308 [1,1,0,0,0,0|1,0,0]=3 37 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O ACT09156 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.3683 c1cc(nc2c1cc(cc2)I)Cl ACT08001 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN ACT09907 [0,1,0,0,1,0|2,0,0]=4 40 B13R2.435 CC(=O)c1cc2ccccc2s1 ACT04879 [0,1,0,0,1,0|2,0,0]=4 41 B13R2.2121 COc1ccc2c(c1)sc(n2)Br ACT09488 [0,1,0,0,1,0|2,0,0]=4 42 B13R2.2121 Cc1cc2ccc(cc2o1)OC ACT10776 [0,1,0,0,1,0|1,0,0]=3 43 B13R2.2130 COc1ccc2c(c1)CCC2=O ACT02583 [0,1,0,0,1,0|0,0,2]=4 44 B15R2.4776 COc1ccc2ccc(cc2c1)OC ACT06101 [0,2,0,0,0,0|0,0,0]=2 45 B15R2.4780 COc1ccc2cc(ccc2c1)C=O ACT12025 [0,2,0,0,0,0|0,0,0]=2 46 B11R1.222 COC(=O)c1ccccc1I ACT05425 [0,0,1,0,1,0|2,0,0]=4 47 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [1,0,0,0,1,0|1,0,1]=4 48 B11R2.36 c1cc(cc2c1cc[nH]2)Br ACT02481 [1,0,0,0,1,0|2,0,0]=4 49 B11R2.36 c1cc2c(cco2)cc1Br ACT09333 [1,0,0,0,1,0|2,0,0]=4