0 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.36 COc1ccc(cc1)C(C(=O)O)O LS11566 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.585 B(c1ccc(cc1)NC(=O)C)(O)O LS10862 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.585 B(c1ccc(cc1)OC(=O)C)(O)O LS10860 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)O LS10685 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 LS40246 [0,0,0,1,0,0|1,0,0]=2 18 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,0,0,1,0,0|2,1,0]=4 19 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,0,0,1,0,0|2,0,0]=3 20 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,0,0,0,1,0|2,0,1]=4 21 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,0,0,0,1,0|1,0,0]=2 22 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,0,0,0,1,0|1,0,0]=2 23 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,0,0,0,1,0|2,0,0]=3 24 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [0,0,0,0,1,0|3,0,0]=4 25 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] LS20663 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,0,0,0,1,0|1,0,1]=3 28 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,0,0,0,1,0|1,0,1]=3 29 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,0,0,0,1,0|3,0,0]=4 31 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,0,0,0,0,1|1,0,1]=3 32 B13R1.3 c1cc(ccc1C#N)NCC(=O)O LS40290 [0,0,0,0,0,1|3,0,0]=4 33 B10R1.1 Cc1ccc(cc1)CCN LS11229 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.1 Cc1ccc(cc1)CCO LS11239 [2,0,0,0,0,0|0,0,2]=4 35 B10R1.1 c1cc(ccc1CCN)O LS11714 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl LS11794 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F LS10301 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl LS10023 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl LS11622 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.114 COc1ccc(c(c1)Cl)CC#N LS10184 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.288 COc1ccc(cc1O)CCN LS10775 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.6 CC(C)(c1ccc(cc1)OC)O LS10171 [0,1,0,0,1,0|0,0,2]=4 46 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl LS10598 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] LS10761 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] LS10772 [0,1,0,0,1,0|2,0,0]=4 51 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O LS10863 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,1,0,0,1,0|0,0,0]=2 53 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] LS10312 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,1,0,0,1,0|1,0,0]=3 56 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [1,0,0,1,0,0|1,0,1]=4 62 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,0,0,0,1,0|1,0,0]=3 63 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,0,0,1,0|1,0,0]=3 64 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,0,0,0,1,0|1,0,0]=3 65 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,0,0,0,1,0|0,0,0]=2 66 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,0,0,0,1,0|2,0,0]=4 67 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,0,0,0,1,0|2,0,0]=4 68 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [1,0,0,0,1,0|2,0,0]=4 70 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,0,0,0,1,0|2,0,0]=4 72 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [1,0,0,0,0,1|0,0,0]=2 73 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [1,0,0,0,0,1|1,0,1]=4 74 B14R1.4 COc1ccc(cc1)CCCC(=O)O LS10123 [0,0,0,0,0,2|1,0,0]=3