0 B11R1.3 B(c1ccc(cc1)C#N)(O)O LS00153 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 B(c1ccc(cc1)CBr)(O)O LS10869 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 B(c1ccc(cc1)CO)(O)O LS10891 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.3 B(c1ccc(cc1)SC)(O)O LS10900 [0,0,0,0,0,0|1,1,1]=3 7 B11R1.3 B(c1ccc(nc1)OC)(O)O LS11100 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 B(c1cnc(nc1)OC)(O)O LS11128 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] LS20663 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [1,0,0,0,0,0|1,1,1]=4 28 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.5 COC(=O)c1ccc(cc1)C#C LS10765 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.5 COC(=O)c1ccc(cc1)CBr LS10680 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.5 c1cc(ccc1C#N)C(=O)CBr LS11692 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.6 CC(C)(c1ccc(cc1)OC)O LS10171 [0,1,0,0,0,0|1,0,1]=3 57 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl LS10598 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.6 c1cc(ccc1NN)S(=O)(=O)O LS11407 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O LS11004 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O LS10758 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.48 CNc1ccc(cc1N)[N+](=O)[O-] LS11355 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] LS10761 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.48 Cc1cc(ccc1C#N)C(=O)O LS00053 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] LS10772 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.113 B(c1ccc(cc1)CCC)(O)O LS10904 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.113 B(c1ccc(cc1)COC)(O)O LS10896 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.113 B(c1ccc(cc1)OCC)(O)O LS10887 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.113 B(c1ccc(cc1)SCC)(O)O LS10890 [0,1,0,0,0,0|1,1,1]=4 71 B12R1.113 B(c1ccc(nc1)OCC)(O)O LS11098 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] LS20351 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] LS10575 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O LS10863 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O LS10880 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O LS10913 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O LS10877 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O LS10905 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.256 B(c1ccc(cc1)N(C)C)(O)O LS10883 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] LS10641 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] LS10118 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O LS10757 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.452 B(c1ccc(cc1F)OC)(O)O LS10980 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] LS10312 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,1,0,0,0,0|0,0,0]=1 88 B12R1.452 COc1ccc(c(n1)Cl)[N+](=O)[O-] LS20710 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] LS20712 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.452 Cc1c(ccc(n1)OC)[N+](=O)[O-] LS20739 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC LS20324 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O LS11606 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,0,0,0,0,1|2,0,1]=4 94 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,0,0,0,0,1|2,0,0]=3 95 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,0,0,0,0,1|0,0,0]=1 96 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|0,0,0]=2 101 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|0,1,0]=3 102 B9R1.1 COc1ccc(cn1)Br LS21039 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 COc1ccc(cn1)F LS20238 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 COc1ccc(cn1)N LS20615 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.1 COc1ccc(nc1)Cl LS20524 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.1 Cc1ccc(cc1)C#C LS10578 [2,0,0,0,0,0|1,0,1]=4 107 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|1,0,1]=4 108 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|0,0,1]=3 110 B9R1.1 Cc1ccc(nc1)OC LS20323 [2,0,0,0,0,0|1,0,1]=4 111 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|1,0,1]=4 114 B9R1.1 c1cc(ncc1Br)C=O LS20518 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 c1cc(ncc1C=O)Br LS20544 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.6 B(c1ccccc1)(O)O LS00011 [2,0,0,0,0,0|1,0,1]=4 119 B9R1.6 CC(=O)c1cccnc1 LS20960 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [2,0,0,0,0,0|0,0,0]=2 122 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [2,0,0,0,0,0|1,1,0]=4 123 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.6 c1cncnc1C(=O)O LS20389 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,1,0,0,0,0|0,0,0]=2 127 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,1,0,0,0,0|0,0,0]=2 128 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|0,0,0]=2 133 B11R1.279 c1cc(c(cc1C#N)O)C=O LS10079 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30073 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30074 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] LS40936 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.19 c1cc(ccc1O)S(=O)(=O)O LS10671 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40551 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40552 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl LS10688 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [1,1,0,0,0,0|1,0,1]=4 142 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [1,1,0,0,0,0|0,0,0]=2 147 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [1,1,0,0,0,0|0,0,0]=2 149 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [1,1,0,0,0,0|0,0,0]=2 150 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O LS20787 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl LS20515 [1,1,0,0,0,0|2,0,0]=4 188 B13R1.36 COc1ccc(cc1)C(C(=O)O)O LS11566 [0,1,0,0,0,1|0,0,0]=2 189 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)O LS10685 [0,1,0,0,0,1|0,0,0]=2 190 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O LS10894 [0,2,0,0,0,0|1,0,1]=4 191 B13R1.537 C[C@H](c1ccc(cc1)C(=O)OC)N LS30135 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.3088 COc1ccc(cc1N)C(=O)OC LS11206 [0,2,0,0,0,0|0,0,0]=2 193 B13R1.3088 COc1ccc(cc1O)C(=O)OC LS11837 [0,2,0,0,0,0|0,0,0]=2 194 B13R1.338 c1cc(ccc1C(=O)O)C(F)(F)F LS10230 [0,2,0,0,0,0|2,0,0]=4 195 B13R1.120 B(c1ccc(c(c1)Cl)C(=O)O)(O)O LS11000 [0,2,0,0,0,0|2,0,0]=4 196 B13R1.120 B(c1ccc(c(c1)F)C(=O)O)(O)O LS11010 [0,2,0,0,0,0|2,0,0]=4 197 B13R1.120 B(c1ccc(cc1Cl)C(=O)O)(O)O LS10969 [0,2,0,0,0,0|2,0,0]=4 198 B13R1.120 B(c1ccc(cc1F)C(=O)O)(O)O LS11029 [0,2,0,0,0,0|2,0,0]=4 199 B13R1.120 Cc1cc(ccc1C(=O)O)[N+](=O)[O-] LS10210 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] LS10520 [0,2,0,0,0,0|2,0,0]=4 201 B13R1.120 c1cc(c(cc1[N+](=O)[O-])Cl)C(=O)O LS10722 [0,2,0,0,0,0|2,0,0]=4 202 B13R1.120 c1cc(c(cc1[N+](=O)[O-])F)C(=O)O LS10586 [0,2,0,0,0,0|2,0,0]=4 203 B13R1.120 c1cc(c(cc1[N+](=O)[O-])O)C(=O)O LS10178 [0,2,0,0,0,0|2,0,0]=4 204 B13R1.3091 B(c1ccc(c(c1)C=O)OC)(O)O LS11016 [0,2,0,0,0,0|1,0,1]=4 205 B13R1.3091 B(c1ccc(c(c1)CO)OC)(O)O LS11018 [0,2,0,0,0,0|1,0,1]=4 206 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O LS10946 [0,2,0,0,0,0|1,0,1]=4 207 B13R1.385 B(c1ccc(cc1C)OCC)(O)O LS11035 [0,2,0,0,0,0|1,0,1]=4 208 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O LS11312 [0,2,0,0,0,0|1,0,1]=4 209 B13R1.99 B(c1ccc(cc1OC)OC)(O)O LS10932 [0,2,0,0,0,0|1,0,1]=4 210 B13R1.428 B(c1c(cc(cc1C)OC)C)(O)O LS10943 [0,2,0,0,0,0|1,0,1]=4 211 B13R1.428 B(c1c(cc(cc1F)OC)F)(O)O LS10940 [0,2,0,0,0,0|1,0,1]=4 212 B13R1.428 COc1cc(c(c(c1)Cl)[N+](=O)[O-])Cl LS10046 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,0,1,1,0,0|1,0,1]=4 214 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,0,1,1,0,0|2,0,0]=4 215 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,0,1,1,0,0|2,0,0]=4 216 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 LS40246 [0,0,0,1,0,1|1,0,0]=3 217 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,0,0,1,0,1|1,1,0]=4 218 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,0,0,1,0,1|2,0,0]=4 219 B13R2.2130 c1cc2c(cc1C#N)COC2=O LS11431 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O LS11322 [0,1,0,1,0,0|1,0,1]=4 221 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O LS00113 [0,1,0,1,0,0|1,0,1]=4 222 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O LS20931 [0,1,0,1,0,0|1,0,1]=4 223 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 LS40098 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [1,0,0,0,1,0|2,0,0]=4 225 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [1,0,0,0,1,0|2,0,0]=4 226 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [1,0,0,0,1,0|1,0,0]=3 227 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [1,0,0,0,1,0|2,0,0]=4 228 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [1,0,0,0,1,0|2,0,0]=4 229 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [1,0,0,0,1,0|2,0,0]=4 230 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [1,0,0,0,1,0|2,0,0]=4 231 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [1,0,0,0,0,1|2,0,0]=4 232 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [1,0,0,0,0,1|2,0,0]=4 233 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [1,0,0,0,0,1|2,0,0]=4 234 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [1,0,0,0,0,1|2,0,0]=4 235 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,0,0,0,0,1|1,0,0]=3 236 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,0,0,0,0,1|1,0,0]=3 237 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [1,0,0,0,0,1|1,0,0]=3 238 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [1,0,0,0,0,1|1,0,0]=3 239 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [1,0,0,0,0,1|0,0,0]=2 240 B11R1.266 B(c1cc(cnc1)OC)(O)O LS11108 [0,0,0,0,1,1|1,0,1]=4 241 B11R1.266 B(c1cccc(c1)OC)(O)O LS10845 [0,0,0,0,1,1|1,0,1]=4 242 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,0,0,0,1,1|0,0,0]=2 243 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,0,0,0,0,2|0,0,0]=2 244 B13R1.3 c1cc(ccc1C#N)NCC(=O)O LS40290 [0,0,0,0,0,2|2,0,0]=4