0 B10R1.113 B(c1cc(cnc1)Br)(O)O LS11106 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 B(c1cc(cnc1)Cl)(O)O LS11107 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 B(c1cc(cnc1)F)(O)O LS20225 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [0,0,0,0,0,0|1,1,1]=3 12 B10R1.113 B(c1ccnc(c1)Cl)(O)O LS20195 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.113 B(c1ccnc(c1)F)(O)O LS20224 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,0,0,0,0,0|1,0,0]=1 33 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl LS20004 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.2 Cc1cccc(c1)CN LS11219 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.2 Cc1cccc(n1)CO LS20207 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.2 c1c(cncc1Br)C=O LS20038 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,0,0,0,0,0|0,0,0]=1 52 B9R1.2 c1cc(nc(c1)Cl)C=O LS20219 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.2 c1cnc(cc1CO)N LS21015 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 B(c1cccnc1)(O)O LS20190 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 B(c1ccncc1)(O)O LS20393 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,1,0]=3 64 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O LS10944 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O LS11001 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O LS11032 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.21 B(c1ccc(c(c1)F)F)(O)O LS10945 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.21 B(c1ccc(c(c1)N)F)(O)O LS10989 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] LS10563 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] LS10652 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F LS11373 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Cl LS11567 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Cl LS10013 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N LS10036 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl LS10712 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl LS10723 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F LS10316 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.23 CCC(=O)c1cccc(c1)Cl LS41311 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.23 CNC(=O)c1cc(ccn1)Cl LS21026 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.23 COC(=O)c1cc(ccn1)Cl LS20268 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.23 COC(=O)c1cc(cnc1)Br LS20201 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.23 COC(=O)c1ccnc(c1)Br LS20070 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl LS10356 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.74 B(c1cc(cc(c1)Br)Br)(O)O LS10951 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.74 B(c1cc(cc(c1)Br)Cl)(O)O LS10992 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.74 B(c1cc(cc(c1)C)C)(O)O LS10955 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.74 B(c1cc(cc(c1)Cl)Cl)(O)O LS10536 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.74 B(c1cc(cc(c1)Cl)F)(O)O LS11006 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.74 B(c1cc(cc(c1)F)F)(O)O LS10953 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.74 B(c1cc(cc(c1)F)O)(O)O LS11015 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.74 CC(=O)c1cc(cc(c1)F)F LS11171 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.74 Cc1cc(cc(c1)F)[N+](=O)[O-] LS10429 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.74 Cc1cc(cc(c1)N)C(=O)O LS10247 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.74 c1c(cc(cc1Br)I)C(=O)O LS10332 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.74 c1c(cc(cc1F)F)C(=O)O LS11169 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.74 c1c(cc(cc1F)F)C(=O)[O-] LS11170 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.74 c1c(cc(cc1F)F)[N+](=O)[O-] LS10619 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.74 c1c(cc(cc1[N+](=O)[O-])Br)N LS10065 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.74 c1c(cc(cc1[N+](=O)[O-])F)N LS11502 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.155 CC(C)(c1cccc(c1)Br)O LS10604 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.155 c1cc(cc(c1)S(=O)(=O)Cl)F LS10760 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.159 B(c1cccc(c1C)C)(O)O LS10927 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.159 B(c1cccc(c1C)F)(O)O LS11009 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.159 B(c1cccc(c1Cl)Cl)(O)O LS10923 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.159 B(c1cccc(c1F)Br)(O)O LS11300 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.159 B(c1cccc(c1F)Cl)(O)O LS10998 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.159 B(c1cccc(c1F)F)(O)O LS10924 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.159 B(c1cccc(c1O)Br)(O)O LS10991 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] LS11806 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.159 Cc1cccc(c1I)C(=O)O LS10145 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.159 Cc1cccc(c1N)C(=O)O LS11462 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O LS10579 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.159 c1cc(c(c(c1)Br)F)[N+](=O)[O-] LS10297 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)N LS11488 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O LS11484 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.159 c1cc(c(c(c1)Br)O)[N+](=O)[O-] LS10741 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.159 c1cc(c(c(c1)Cl)Cl)C(=O)O LS11460 [0,1,0,0,0,0|1,0,0]=2 140 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O LS11404 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.159 c1cc(c(c(c1)Cl)F)[N+](=O)[O-] LS10463 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O LS11486 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O LS10584 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O LS11162 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O LS11485 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.159 c1cc(c(c(c1)I)F)C(=O)O LS10522 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O LS10012 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N LS11444 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O LS11459 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.159 c1cc(c(c(c1)O)Br)[N+](=O)[O-] LS11792 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O LS10681 [0,1,0,0,0,0|0,0,0]=1 152 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.167 B(c1cc(ccc1C)Cl)(O)O LS11051 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.167 B(c1cc(ccc1C)F)(O)O LS11054 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.167 B(c1cc(ccc1Cl)Cl)(O)O LS10934 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.167 B(c1cc(ccc1Cl)F)(O)O LS10975 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.167 B(c1cc(ccc1F)C)(O)O LS10983 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.167 B(c1cc(ccc1F)Cl)(O)O LS11048 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.167 B(c1cc(ccc1F)F)(O)O LS10935 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.167 B(c1cc(ccc1O)Cl)(O)O LS11049 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.167 B(c1cc(ccc1O)F)(O)O LS11052 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.167 Cc1ccc(c(c1)C(=O)O)I LS10696 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.167 c1c(c(cnc1F)F)C(=O)O LS20887 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br LS20228 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl LS20422 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.167 c1c(cnc(c1C(=O)O)O)Br LS20421 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.167 c1cc(c(cc1Br)C(=O)N)N LS11489 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl LS11201 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.167 c1cc(c(cc1Br)C(=O)O)F LS10585 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.167 c1cc(c(cc1Br)C(=O)O)N LS10708 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N LS10329 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N LS10559 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.167 c1cc(c(cc1Cl)C(=O)N)O LS10567 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl LS11832 [0,1,0,0,0,0|1,0,0]=2 185 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N LS10348 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O LS11420 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])Br LS10345 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.167 c1cc(c(cc1F)C(=O)N)N LS11474 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.167 c1cc(c(cc1F)C(=O)O)F LS11164 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.167 c1cc(c(cc1F)C(=O)O)N LS11464 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.167 c1cc(c(cc1F)C(=O)O)O LS10523 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.167 c1cc(c(cc1F)C(=O)[O-])F LS11165 [0,1,0,0,0,0|1,0,1]=3 193 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])I LS10074 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.167 c1cc(c(cc1N)C(=O)O)O LS11426 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.167 c1cc(c(cc1O)C(=O)O)F LS10475 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])F LS10130 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N LS10710 [0,1,0,0,0,0|1,0,1]=3 198 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl LS20461 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.266 B(c1cc(cnc1)OC)(O)O LS11108 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.266 B(c1cccc(c1)C#N)(O)O LS10832 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.266 B(c1cccc(c1)C=O)(O)O LS00095 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.266 B(c1cccc(c1)CBr)(O)O LS10828 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.266 B(c1cccc(c1)CO)(O)O LS10838 [0,1,0,0,0,0|1,0,1]=3 204 B11R1.266 B(c1cccc(c1)OC)(O)O LS10845 [0,1,0,0,0,0|1,0,1]=3 205 B11R1.266 B(c1cccc(c1)SC)(O)O LS10849 [0,1,0,0,0,0|1,1,1]=4 206 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.266 c1cc(cc(c1)C(=O)Cl)C#N LS10682 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl LS10105 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO LS11391 [0,1,0,0,0,0|1,0,1]=3 210 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,0,0,0,1,0|3,0,0]=4 212 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,0,0,0,1,0|2,0,0]=3 218 B9R1.41 Cc1c(con1)C(=O)O LS20143 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,0,0,0,1,0|2,0,0]=3 220 B9R1.41 Cn1c(ccn1)C(=O)O LS20083 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,0,0,0,1,0|2,0,0]=3 222 B9R1.41 c1csc(c1C(=O)O)Br LS20833 [0,0,0,0,1,0|2,0,0]=3 223 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,0,0,0,1,0|2,0,0]=3 224 B9R1.41 c1nc(c(s1)Br)C(=O)O LS21078 [0,0,0,0,1,0|3,0,0]=4 225 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,0,0,0,0,1|2,0,0]=3 226 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,0,0,0,0,1|2,0,0]=3 227 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 229 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 231 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,1]=3 232 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.4 c1c(cncc1F)O LS20013 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.4 c1cc(cc(c1)Br)N LS10546 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.4 c1cc(cc(c1)F)F LS10472 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.4 c1cc(cc(c1)F)O LS11397 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.4 c1cc(cc(c1)I)Br LS11202 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.4 c1cc(cc(c1)I)N LS10554 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.4 c1cc(cc(c1)S)O LS11830 [2,0,0,0,0,0|0,1,0]=3 240 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.4 c1cnc(cc1Br)O LS20336 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.4 c1cnc(cc1O)Cl LS20425 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.4 c1cnc(cc1O)N LS20319 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.2 Cc1c(cccc1F)C=O LS10501 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [1,1,0,0,0,0|1,0,0]=3 254 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|0,0,0]=2 256 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.8 c1c(cc(cc1Cl)Cl)C=O LS10376 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.8 c1c(cc(cc1F)Br)C=O LS10512 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.30 COc1cc(ccc1F)O LS10037 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.172 CCc1cccc(c1)C=O LS10374 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [1,1,0,0,0,0|0,0,1]=3 277 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [1,1,0,0,0,0|0,0,1]=3 278 B10R1.172 c1cc(nc(c1)CO)CO LS20526 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,1,0,0,0,0|0,0,0]=2 288 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|0,0,0]=2 311 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.15 COC(=O)c1cccnc1 LS20584 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|0,0,0]=2 321 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.61 B(c1ccccc1C)(O)O LS10802 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.61 B(c1ccccc1F)(O)O LS10797 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.61 B(c1ccccc1N)(O)O LS10787 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [0,1,0,0,1,0|2,0,0]=4 365 B10R1.149 COC(=O)c1c(ccs1)F LS20067 [0,1,0,0,1,0|2,0,0]=4 366 B10R1.149 Cc1c(ccs1)C(=O)OC LS20060 [0,1,0,0,1,0|2,0,0]=4 367 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl LS11794 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F LS10301 [0,1,0,0,0,1|1,0,0]=3 369 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl LS10023 [0,1,0,0,0,1|1,0,0]=3 370 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C LS10689 [0,1,0,0,0,1|1,0,0]=3 371 B12R1.224 Cc1cccc(c1C)CC(=O)O LS10465 [0,1,0,0,0,1|1,0,0]=3 372 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.48 Cc1cc(ccc1C#N)C(=O)O LS00053 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O LS11021 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O LS11040 [0,2,0,0,0,0|1,0,1]=4 377 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] LS00026 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] LS10410 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.56 COc1cc(ccc1N)C(=O)O LS11388 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O LS10525 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br LS10526 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O LS11501 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.232 c1c(c(cc(c1Cl)[N+](=O)[O-])O)N LS10705 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O LS10529 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O LS10531 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.232 c1c(c(cc(c1O)Cl)F)[N+](=O)[O-] LS10398 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.367 COC(=O)c1ccc(c(c1)Br)I LS11500 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.367 COC(=O)c1ccc(c(c1)Br)O LS11732 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.367 Cc1ccc(cc1I)C(=O)OC LS10763 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F LS10703 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F LS10246 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br LS10244 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F LS11172 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F LS10250 [0,2,0,0,0,0|0,0,0]=2 400 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F LS11173 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl LS11770 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O LS10270 [0,2,0,0,0,0|0,0,0]=2 403 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)O LS70017 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O LS11723 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.1005 c1c(cc(c(c1N)Cl)Cl)C(=O)O LS10082 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.1005 c1c(cc(c(c1O)Br)F)[N+](=O)[O-] LS10098 [0,2,0,0,0,0|1,0,1]=4 407 B12R1.17 CCOC(=O)c1cc(cnc1)Br LS20216 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.17 CCOC(=O)c1cccc(n1)N LS20771 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.17 CCOC(=O)c1ccnc(c1)Br LS20069 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.24 COC(=O)c1cccc(c1F)N LS10072 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.24 COC(=O)c1cccc(c1N)Cl LS11487 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.24 COC(=O)c1cccc(c1N)O LS10153 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.354 COC(=O)c1cc(ccc1Br)F LS11833 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.354 COC(=O)c1cc(ccc1I)Br LS10771 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.354 COC(=O)c1cc(ccc1N)Cl LS10357 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.354 COC(=O)c1cc(ccc1O)Cl LS10755 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I LS10697 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.354 Cc1ccc(cc1C(=O)OC)Br LS10769 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.358 COC(=O)c1cc(cc(c1)O)O LS00127 [0,2,0,0,0,0|0,0,0]=2 420 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC LS20027 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.11 B(c1cc(cc(c1)Br)OC)(O)O LS10995 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.511 Cc1cc(c(c(c1)C(=O)O)N)C LS11350 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.511 Cc1cc(cc(c1N)C(=O)O)Cl LS11466 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.511 c1c(cc(c(c1C(=O)O)Br)F)F LS10245 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.511 c1c(cc(c(c1C(=O)O)Cl)F)F LS11780 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.511 c1c(cc(c(c1C(=O)O)O)Cl)Cl LS11872 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.511 c1c(cc(c(c1C(=O)O)O)I)I LS11419 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.511 c1c(cc(c(c1C(=O)O)O)N)N LS10764 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.128 c1cc(c(cc1N)S(=O)(=O)O)N LS10707 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40355 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.128 c1cc(c(cc1O)S(=O)(=O)[O-])O LS40554 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.436 COc1cccc(c1)S(=O)(=O)Cl LS11498 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.440 B(c1cccc(c1F)OC)(O)O LS10979 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.440 COc1cccc(c1N)C(=O)O LS00056 [0,2,0,0,0,0|0,0,0]=2 435 B12R1.440 c1cc(c(c(c1)C(=O)O)F)CO LS10102 [0,2,0,0,0,0|0,0,0]=2 436 B12R1.440 c1cc(c(c(c1)[N+](=O)[O-])F)CO LS10679 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.894 c1cc(c(c(c1Cl)C(=O)O)N)Cl LS11461 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.894 c1cc(c(c(c1N)F)C(=O)O)F LS10203 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.46 COc1c(cc(cn1)Br)C(=O)O LS20039 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.453 B(c1cc(ccc1Cl)OC)(O)O LS10976 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.453 B(c1cc(ccc1F)OC)(O)O LS10982 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.453 COc1ccc(c(c1)C(=O)O)N LS11463 [0,2,0,0,0,0|0,0,0]=2 446 B12R1.453 COc1ccc(c(c1)C(=O)O)O LS11288 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br LS10762 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl LS10413 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.453 c1cc(c(cc1C=O)C(=O)O)O LS10658 [0,2,0,0,0,0|0,0,1]=3 450 B12R1.258 B(c1cccc(c1)B(O)O)(O)O LS10920 [0,2,0,0,0,0|1,0,1]=4 451 B12R1.258 B(c1cccc(c1)C(=O)C)(O)O LS10817 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.258 B(c1cccc(c1)C(=O)N)(O)O LS10819 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.258 B(c1cccc(c1)C(=O)O)(O)O LS00150 [0,2,0,0,0,0|0,0,0]=2 454 B12R1.258 B(c1cccc(c1)[N+](=O)[O-])(O)O LS10851 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.258 c1c(cncc1C(=O)O)C(=O)O LS20276 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.258 c1c(ncnc1C(=O)O)C(=O)O LS20885 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.258 c1cnc(cc1[N+](=O)[O-])C(=O)O LS20777 [0,2,0,0,0,0|1,0,1]=4 458 B12R1.279 B(c1cccc(c1)OCC)(O)O LS10836 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,1,1,0,0|0,1,0]=3 460 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [0,0,0,1,0,1|2,0,0]=4 461 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,0,0,1,0,1|2,0,0]=4 462 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,0,0,1,0,1|2,0,0]=4 463 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,0,0,1,0,1|2,0,0]=4 464 B12R2.606 c1cc2c(cc1O)sc(n2)N LS40043 [0,0,0,1,0,1|2,0,0]=4 465 B12R2.196 c1cc2c(c(c1)O)CCC2=O LS40238 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,0,0,0,1,0|2,0,0]=4 467 B8R1.1 c1c(coc1C=O)Br LS20868 [1,0,0,0,1,0|2,0,0]=4 468 B8R1.1 c1c(csc1C=O)Br LS20660 [1,0,0,0,1,0|2,0,0]=4 469 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,1,0|2,0,0]=4 470 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|2,0,0]=4 471 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|2,0,0]=4 472 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [1,0,0,0,1,0|2,0,0]=4 473 B8R1.7 c1c(con1)C(=O)O LS20144 [1,0,0,0,1,0|2,0,0]=4 474 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,1,0|2,0,0]=4 475 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,1,0|2,0,0]=4 476 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,1,0|2,0,0]=4 477 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,1,0|1,0,0]=3 478 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,1,0|2,0,0]=4 479 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,1,0|1,0,0]=3 480 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,1,0|1,0,1]=4 481 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,1,0|2,0,0]=4 482 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,1,0|2,0,0]=4 483 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,1,0|2,0,0]=4 484 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,1,0|2,0,0]=4 485 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,1,0|1,0,0]=3 486 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [1,0,0,0,0,1|1,0,1]=4 487 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,0,0,0,0,1|2,0,0]=4 488 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,0,0,0,1|1,0,0]=3