0 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [1,0,0,0,0,0|2,0,0]=3 6 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [1,0,0,0,0,0|1,0,0]=2 7 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.24 c1cc2cnccc2cc1Br LS20209 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [1,0,0,0,0,0|1,0,0]=2 15 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 LS41043 [0,1,0,0,0,0|0,0,3]=4 18 B14R2.142 COc1ccc2c(c1)c(=O)nc[nH]2 LS40136 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O LS41908 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.781 B(c1cc2ccccc2nc1)(O)O LS11116 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O LS11120 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.781 B(c1ccc2ccccc2c1)(O)O LS40263 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.781 B(c1ccc2ccccc2n1)(O)O LS11115 [0,1,0,0,0,0|3,0,0]=4 24 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] LS20704 [0,1,0,0,0,0|3,0,0]=4 25 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.2332 COc1ccc2cc(ccc2c1)Br LS41201 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,0,1,0,0,0|2,0,1]=4 30 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.44 CCc1ccc2c(c1)cc[nH]2 LS20080 [0,0,0,0,1,0|2,0,0]=3 32 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [0,0,0,0,1,0|1,0,2]=4 33 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,0,0,0,1,0|1,0,0]=2 34 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,0,0,0,1,0|1,0,0]=2 35 B12R2.44 c1cc(cc2c1cc[nH]2)C#N LS20300 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,0,1,0,0,0|2,0,0]=4 41 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl LS10204 [0,1,1,0,0,0|1,0,0]=3 42 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,1,1,0,0,0|1,0,0]=3 43 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O LS00015 [0,1,1,0,0,0|2,0,0]=4 44 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [1,1,0,0,0,0|1,0,0]=3 45 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [1,1,0,0,0,0|1,0,0]=3 46 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [1,1,0,0,0,0|0,0,0]=2 47 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [1,1,0,0,0,0|1,0,1]=4 50 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCO LS20674 [0,1,0,0,1,0|2,0,0]=4 53 B13R2.2931 COC1c2ccccc2C(=O)O1 LS40148 [0,1,0,0,1,0|1,0,1]=4 54 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 LS20042 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 LS40246 [0,1,0,0,1,0|1,0,1]=4 56 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,1,0,0,1,0|2,0,0]=4 57 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,1,0,0,1,0|1,0,0]=3 58 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 LS20896 [0,2,0,0,0,0|2,0,0]=4 59 B15R2.21329 COc1ccc2c(c1)c(cc(n2)Cl)Cl LS20861 [0,2,0,0,0,0|1,0,0]=3 60 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)N LS20930 [0,2,0,0,0,0|1,1,0]=4 61 B15R2.7180 B(c1ccc2cc(ccc2c1)O)(O)O LS11061 [0,2,0,0,0,0|2,0,0]=4 62 B15R2.2039 COc1cc2c(cc1O)c(=O)[nH]cn2 LS40480 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,0,1,0,1,0|2,0,0]=4 64 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [1,0,0,0,1,0|0,0,1]=3 65 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,0,0,0,1,0|2,0,0]=4 66 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [1,0,0,0,1,0|2,0,0]=4 67 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [1,0,0,0,1,0|2,0,0]=4 68 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,0,0,0,1,0|1,0,0]=3 69 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,0,0,0,1,0|1,0,0]=3 70 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,0,0,0,1,0|2,0,0]=4