0 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [1,0,0,0,0,0|1,0,2]=4 1 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,0,0,0,0|0,0,0]=1 4 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,0,0,1,0,0|1,0,1]=3 5 B13R2.435 B(c1cc2ccccc2s1)(O)O LS11084 [0,0,0,1,0,0|1,1,1]=4 6 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,0,0,1,0,0|1,0,2]=4 7 B13R2.435 c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,0,0,1,0,0|1,0,2]=4 8 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,0,0,1,0,0|0,1,0]=2 9 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,0,0,0,1,0|2,0,1]=4 10 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,0,0,0,1,0|2,0,1]=4 11 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,0,0,0,1,0|0,0,1]=2 13 B10R1.4 C=CCc1ccccc1O LS11683 [2,0,0,0,0,0|0,0,1]=3 14 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [1,1,0,0,0,0|0,0,0]=2 16 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])Br LS10167 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [1,1,0,0,0,0|0,0,2]=4 20 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [1,1,0,0,0,0|0,0,2]=4 21 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [1,1,0,0,0,0|0,0,2]=4 24 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl LS30118 [0,1,0,0,1,0|1,0,1]=4 25 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C LS10689 [0,1,0,0,1,0|1,0,1]=4 26 B12R1.224 Cc1cccc(c1C)CC(=O)O LS10465 [0,1,0,0,1,0|1,0,1]=4 27 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,1,0,0,1,0|1,0,1]=4 28 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,0,1,1,0,0|2,0,0]=4 29 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O LS00150 [0,0,1,1,0,0|2,0,0]=4 30 B12R1.258 c1c(cncc1C(=O)O)C(=O)O LS20276 [0,0,1,1,0,0|2,0,0]=4 31 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O LS10658 [0,0,1,1,0,0|1,0,1]=4 32 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [1,0,0,1,0,0|2,0,0]=4 35 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [1,0,0,1,0,0|0,0,2]=4 36 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [1,0,0,1,0,0|2,0,0]=4 37 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,0,0,1,0,1|1,0,0]=3 42 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,0,0,1,0,1|1,0,0]=3 43 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O LS20864 [0,0,0,1,0,1|1,0,0]=3 44 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,0,0,1,0,1|1,0,0]=3 45 B14R2.2 c1ccc2c(c1)c(no2)CC(=O)O LS41523 [0,1,0,1,0,0|0,0,1]=3 46 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br LS40988 [0,1,0,1,0,0|0,1,0]=3 47 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br LS20433 [0,1,0,1,0,0|1,0,0]=3 48 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O LS20431 [0,1,0,1,0,0|1,0,0]=3 49 B14R2.4529 c1cc2c(cc1N)cc(o2)C(=O)O LS41072 [0,1,0,1,0,0|0,0,0]=2 50 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,0,0,1,0|1,0,1]=4 51 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [1,0,0,0,1,0|1,0,0]=3 52 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,0,0,0,2,0|1,0,1]=4 53 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,0,0,0,2,0|2,0,0]=4 54 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,0,0,0,2,0|1,0,0]=3 55 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,0,0,0,2,0|2,0,0]=4 56 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,0,0,0,2,0|1,0,0]=3 57 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,0,0,0,2,0|2,0,0]=4 58 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,0,0,0,2,0|2,0,0]=4 59 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,0,0,0,2,0|2,0,0]=4 60 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,0,0,0,2,0|2,0,0]=4 61 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,0,0,0,2,0|2,0,0]=4 62 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,0,0,0,2,0|2,0,0]=4 63 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,0,0,0,2,0|1,0,0]=3 64 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,0,0,0,2,0|1,1,0]=4 65 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,0,0,0,2,0|2,0,0]=4 66 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,0,0,0,2,0|1,0,0]=3 67 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,0,0,0,2,0|1,0,0]=3 68 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,0,0,0,2,0|1,0,0]=3 69 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,0,0,0,2,0|2,0,0]=4 70 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,0,0,0,2,0|2,0,0]=4 71 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,0,0,0,2,0|2,0,0]=4 72 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,0,0,0,2,0|2,0,0]=4 73 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,0,0,0,2,0|1,0,0]=3 74 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,0,0,0,2,0|2,0,0]=4