0 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,0,0,0,0,0|2,1,1]=4 1 B12R2.612 c1cc2c(cc1Br)[nH]nc2N LS40886 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 c1cc2c(cc1Cl)onc2O LS40223 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [1,0,0,0,0,0|3,0,0]=4 8 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [1,0,0,0,0,0|1,1,0]=3 10 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [1,0,0,0,0,0|1,1,0]=3 11 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,0,0,0,0,0|2,0,0]=3 12 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [1,0,0,0,0,0|2,1,0]=4 14 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [1,0,0,0,0,0|2,1,0]=4 15 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [1,0,0,0,0,0|1,1,1]=4 17 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [1,0,0,0,0,0|0,1,0]=2 19 B13R2.662 c1cc2c(cc1Br)[nH]nc2C=O LS40015 [0,1,0,0,0,0|0,1,1]=3 20 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O LS10169 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O LS20914 [0,1,0,0,0,0|1,1,1]=4 22 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O LS20866 [0,1,0,0,0,0|1,1,1]=4 23 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O LS20915 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,0,1,0,0,0|1,1,1]=4 25 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,0,1,0,0,0|0,1,2]=4 26 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,0,1,0,0,0|2,0,1]=4 28 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,0,1,0,0,0|3,0,0]=4 29 B11R1.166 B(c1ccc(cc1Cl)F)(O)O LS10970 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.166 B(c1ccc(cc1F)F)(O)O LS10930 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,0,1,0,0,0|2,0,0]=3 33 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,0,1,0,0,0|2,1,0]=4 35 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,0,1,0,0,0|2,1,0]=4 36 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,0,1,0,0,0|1,1,0]=3 38 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,0,1,0,0,0|2,1,0]=4 39 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,0,1,0,0,0|0,1,2]=4 40 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,0,1,0,0,0|1,1,0]=3 41 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,0,1,0,0,0|2,1,0]=4 42 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,0,1,0,0,0|2,0,1]=4 43 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,0,1,0,0,0|1,0,0]=2 44 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] LS10279 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,0,1,0,0,0|3,0,0]=4 47 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,0,1,0,0,0|3,0,0]=4 48 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [0,0,0,0,0,1|2,1,0]=4 49 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,1,0,0,0|1,0,1]=4 51 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,0,1,0,0,0|1,1,0]=4 52 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,0,1,0,0,0|1,1,0]=4 53 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,0,1,0,0,0|1,0,1]=4 58 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,0,1,0,0,0|2,0,0]=4 59 B10R1.61 B(c1ccccc1N)(O)O LS10787 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,0,1,0,0,0|0,0,2]=4 65 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,0,1,0,0,0|2,0,0]=4 69 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [2,0,0,0,0,0|2,0,0]=4 70 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [2,0,0,0,0,0|2,0,0]=4 71 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [2,0,0,0,0,0|2,0,0]=4 72 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [2,0,0,0,0,0|2,0,0]=4 73 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [2,0,0,0,0,0|0,0,0]=2 74 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,1,1,0,0,0|2,0,0]=4 76 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,1,1,0,0,0|1,1,0]=4 78 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,1,1,0,0,0|2,0,0]=4 79 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,1,1,0,0,0|2,0,0]=4 80 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F LS10246 [0,1,1,0,0,0|2,0,0]=4 81 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F LS11172 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F LS10250 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F LS10527 [0,1,1,0,0,0|2,0,0]=4 84 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [1,1,0,0,0,0|1,0,0]=3 85 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O LS21172 [1,1,0,0,0,0|0,0,1]=3 86 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [1,1,0,0,0,0|1,0,1]=4 87 B12R2.132 Cc1c2cc(ccc2[nH]n1)Br LS20149 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.44 c1cc(cc2c1cc[nH]2)C#N LS20300 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.82 Cc1c(ccc2c1[nH]cc2)F LS20154 [1,1,0,0,0,0|1,0,0]=3 91 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O LS20632 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F LS20302 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.300 c1cc2c(cc1Cl)[nH]nc2C(=O)O LS20148 [0,2,0,0,0,0|0,1,0]=3 95 B14R2.5719 Cc1c2ccc(cc2[nH]n1)[N+](=O)[O-] LS40005 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.8737 Cc1c(ccc2c1NC(=O)C2=O)F LS41091 [0,2,0,0,0,0|1,0,1]=4 97 B14R2.645 Cc1cc2c(cc1F)NC(=O)C2=O LS41090 [0,2,0,0,0,0|1,0,1]=4 98 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)F)F LS20912 [0,2,0,0,0,0|1,0,1]=4