0 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 B(c1ccc(cc1)C#C)(O)O AB48280 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 B(c1ccc(cc1)C#N)(O)O AB08783 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 B(c1ccc(cc1)C=C)(O)O AB05462 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 B(c1ccc(cc1)C=O)(O)O AB03995 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.3 B(c1ccc(cc1)CBr)(O)O AB08630 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 B(c1ccc(cc1)CC)(O)O AB07463 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.3 B(c1ccc(cc1)CCl)(O)O AB30901 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.3 B(c1ccc(cc1)CN)(O)O AB09461 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.3 B(c1ccc(cc1)CO)(O)O AB07121 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 B(c1ccc(cc1)OC)(O)O AB01770 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.3 B(c1ccc(cc1)SC)(O)O AB03347 [0,0,0,0,0,0|1,1,1]=3 12 B11R1.3 B(c1ccc(cn1)OC)(O)O AB48963 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 B(c1ccc(nc1)CC)(O)O AB70730 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 B(c1ccc(nc1)OC)(O)O AB10717 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 B(c1ccc(nc1)SC)(O)O AB15937 [0,0,0,0,0,0|2,1,1]=4 16 B11R1.3 B(c1cnc(cn1)OC)(O)O AB50887 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.3 B(c1cnc(nc1)OC)(O)O PB23326 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.3 C#Cc1ccc(cc1)[N+](=O)[O-] AB01446 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 CC(=O)c1ccc(cn1)C#N AB67713 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 CC(c1ccc(nc1)OC)N AB67099 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [0,0,0,0,0,0|2,1,0]=3 28 B11R1.3 CCc1ccc(cn1)[N+](=O)[O-] PB20052 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.3 CNc1ccc(cn1)[N+](=O)[O-] AB04049 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.3 CNc1ncc(cn1)C(=O)O AB43554 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,0,0,0,0,0|1,0,0]=1 33 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,0,0,0,0,0|1,1,0]=2 34 B11R1.3 COc1ccc(cn1)C(=N)N MB05831 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] AB00668 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.3 COc1ccc(nn1)C(=O)O AB52589 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.3 COc1cnc(cn1)C(=O)O AB60459 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.3 COc1ncc(cn1)C(=O)O AB43547 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.3 CSc1ncc(cn1)C(=O)O PB17421 [0,0,0,0,0,0|2,1,0]=3 42 B11R1.3 c1c(cnc(n1)C#N)C(=O)O PB24031 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.3 c1cc(ccc1C=O)C(=N)N AB11535 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.3 c1cc(ncc1C#N)C(=O)O AB49711 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 c1cc(ncc1C(=O)O)C#N AB08639 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.3 c1cc(ncc1C(=O)O)NN PB27614 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.3 c1cc(ncc1C=O)C(=O)O AB63121 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.3 C#Cc1ccc(cc1)C=O AB22364 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.3 CCc1ccc(cc1)NN AB10141 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 CNc1ccc(nc1)OC AB60608 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 CNc1ncc(cn1)C=O AB30585 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.3 COc1ccc(cc1)C#N AB00162 [1,0,0,0,0,0|1,0,1]=3 54 B10R1.3 COc1ccc(cc1)NN AB11940 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.3 COc1ccc(cn1)C#C PB23831 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.3 COc1ccc(cn1)C#N AB03173 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.3 COc1ccc(cn1)CCl AB59942 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.3 COc1ccc(cn1)CCl AB59945 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.3 COc1ccc(cn1)CN PB34107 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.3 COc1ccc(cn1)CO PB17339 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.3 COc1ccc(cn1)NN AB50207 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.3 COc1ccc(nc1)C#C AB68974 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.3 COc1ccc(nc1)C#N PB32629 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.3 COc1ccc(nc1)C=O PB17495 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.3 COc1ccc(nc1)CCl AB59864 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.3 COc1ccc(nc1)CCl PB31547 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.3 COc1ccc(nc1)CN AB59858 [1,0,0,0,0,0|2,0,1]=4 68 B10R1.3 COc1ccc(nc1)CO PB32580 [1,0,0,0,0,0|1,0,1]=3 69 B10R1.3 COc1ccc(nn1)C=O AB61123 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.3 COc1cnc(cn1)C=O AB60467 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.3 COc1cnc(nc1)C=O AB59742 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.3 COc1ncc(cn1)C=O AB15446 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.3 CSc1ccc(cc1)CCl AB05549 [1,0,0,0,0,0|1,1,1]=4 74 B10R1.3 CSc1ccc(cc1)CO AB00982 [1,0,0,0,0,0|0,1,1]=3 75 B10R1.3 CSc1ncc(cn1)C=O PB17314 [1,0,0,0,0,0|2,1,0]=4 76 B10R1.3 c1cc(ccc1CN)CO AB23442 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.3 c1cc(ncc1C#N)C=O AB67705 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.3 c1cc(ncc1C=O)C#N AB66011 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.3 c1cc(ncc1C=O)CCl AB69673 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.3 c1cc(ncc1CCl)C=O AB59921 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,0,0,0,0,0|2,0,1]=4 87 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,0,0,0,0,0|1,1,1]=4 89 B10R1.13 B(c1ccc(cn1)C)(O)O AB06946 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 B(c1ccc(nc1)C)(O)O AB30208 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.13 B(c1ccc(nc1)O)(O)O AB54706 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,0,0,0,0,0|2,0,0]=3 106 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [1,0,0,0,0,0|1,1,0]=3 107 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,0,0,0,0,0|2,0,0]=3 108 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,0,0,0,0,0|2,0,0]=3 109 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,0,0,0,0,0|1,0,0]=2 110 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,0,0,0,0,0|2,0,0]=3 112 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,0,0,0,0,0|1,0,0]=2 113 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [1,0,0,0,0,0|2,0,0]=3 119 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.13 c1c(cnc(n1)C(=O)O)Br PB33902 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 c1c(cnc(n1)C(=O)O)Cl PB13081 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 c1c(cnc(n1)C(=O)O)F PB31127 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 c1c(cnc(n1)C(=O)O)N PB34128 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 c1c(cnc(n1)Cl)C(=O)O PB24941 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 c1c(cnc(n1)N)C(=O)O AB22915 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 c1c(cnc(n1)O)C(=O)O PB14569 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [1,0,0,0,0,0|2,1,0]=4 138 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,0,0,0,0,0|2,1,0]=4 139 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [1,0,0,0,0,0|2,1,0]=4 140 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [1,0,0,0,0,0|2,1,0]=4 141 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [1,0,0,0,0,0|1,1,0]=3 142 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,0,0,0,0,0|2,0,0]=3 147 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,0,0,0,0,0|2,0,0]=3 148 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,0,0,0,0,0|1,0,0]=2 152 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,0,0,0,0,0|1,0,0]=2 157 B10R1.13 c1cc(nnc1C(=O)O)Cl PB27458 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.13 c1cc(nnc1C(=O)O)N PB30836 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.13 c1cc(nnc1C(=O)O)O PB20339 [1,0,0,0,0,0|2,0,0]=3 160 B12R1.5 CCc1ccc(cc1)C(=O)C=O AB48659 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.5 COC(=N)c1ccc(cc1)C=O AB60994 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.5 COC(=O)c1ccc(cc1)C#C AB04259 [0,1,0,0,0,0|1,0,1]=3 163 B12R1.5 COC(=O)c1ccc(cn1)C#C AB69053 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.5 COC(=O)c1ccc(cn1)C=O AB63118 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.5 COC(=O)c1ccc(cn1)CBr AB31485 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.5 COC(=O)c1ccc(nc1)C=O AB44523 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.5 COC(=O)c1ccc(nc1)CBr AB56164 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.5 COC(=O)c1ccc(nc1)CCl AB06109 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.5 COC(=O)c1ccc(nc1)CO AB06608 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.5 COC(=O)c1cnc(nc1)SC PB24623 [0,1,0,0,0,0|2,1,0]=4 171 B12R1.5 COc1ccc(cc1)C(=N)OC AB04684 [0,1,0,0,0,0|1,0,0]=2 172 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [0,1,0,0,0,0|1,0,0]=2 173 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [0,1,0,0,0,0|0,0,1]=2 174 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [0,1,0,0,0,0|0,0,1]=2 175 B12R1.5 COc1ccc(cn1)C(=O)OC PB33918 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.5 COc1ccc(nc1)C(=O)OC PB10973 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.5 CSc1ccc(cc1)C(=O)C=O AB48690 [0,1,0,0,0,0|0,1,1]=3 178 B12R1.5 C[C@H](CN)c1ccc(cc1)OC AB85099 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB14104 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB44430 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.5 c1cc(ccc1CN)C(=O)C=O AB23361 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.6 CC(C)(c1ccc(cc1)OC)N AB43157 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.6 COc1ccc(cn1)S(=O)(=O)Cl AB28612 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.6 COc1ccc(nc1)S(=O)(=O)Cl AB67571 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.6 [B-](c1ccc(cc1)OC)(F)(F)F AB17659 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.48 B(c1cc(c(nc1)OC)Cl)(O)O AB20959 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.48 B(c1cc(c(nc1)OC)F)(O)O AB17586 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.48 B(c1cc(c(nc1)OC)N)(O)O AB40840 [0,1,0,0,0,0|2,0,1]=4 189 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O AB11185 [0,1,0,0,0,0|1,0,1]=3 190 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O AB17452 [0,1,0,0,0,0|1,0,1]=3 191 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O AB07328 [0,1,0,0,0,0|1,0,1]=3 192 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O AB20845 [0,1,0,0,0,0|1,0,1]=3 193 B12R1.48 CC(=O)c1cc(c(nc1)OC)Cl AB70286 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.48 CC(=O)c1cc(c(nc1)OC)F AB74578 [0,1,0,0,0,0|2,0,0]=3 195 B12R1.48 CC(C)c1ccc(c(c1)O)OC MB13567 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.48 CCc1ccc(cc1O)C(=O)N MB23796 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.48 CCc1ccc(cc1O)C(=O)O MB06270 [0,1,0,0,0,0|1,0,0]=2 198 B12R1.48 CN(C)c1ccc(c(c1)O)OC MB33601 [0,1,0,0,0,0|3,0,0]=4 199 B12R1.48 CNc1ccc(cc1O)C(=O)N MB33559 [0,1,0,0,0,0|2,0,0]=3 200 B12R1.48 CNc1ccc(cc1O)C(=O)O MB29392 [0,1,0,0,0,0|1,0,0]=2 201 B12R1.48 COc1c(cc(cn1)C(=O)O)Br AB64029 [0,1,0,0,0,0|1,0,0]=2 202 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl AB20982 [0,1,0,0,0,0|1,0,0]=2 203 B12R1.48 COc1c(cc(cn1)C(=O)O)F AB62787 [0,1,0,0,0,0|1,0,0]=2 204 B12R1.48 COc1c(cc(cn1)C(=O)O)N AB84951 [0,1,0,0,0,0|1,0,0]=2 205 B12R1.48 COc1c(cc(cn1)C(=O)O)O AB74794 [0,1,0,0,0,0|1,0,0]=2 206 B12R1.48 COc1ccc(cc1Br)C(=N)N AB27395 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.48 COc1ccc(cc1Br)C(=O)N AB64470 [0,1,0,0,0,0|1,0,0]=2 208 B12R1.48 COc1ccc(cc1Br)C(=O)O AB01268 [0,1,0,0,0,0|0,0,0]=1 209 B12R1.48 COc1ccc(cc1O)C(=O)N MB32793 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.48 COc1ccc(nc1Br)C(=O)O AB25432 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.48 COc1ccc(nc1Br)[N+](=O)[O-] AB26771 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.48 COc1ccc(nc1Cl)[N+](=O)[O-] AB40620 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.48 COc1cnc(cc1Cl)C(=O)O AB67547 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.48 CSc1ccc(cc1O)C(=O)N MB34551 [0,1,0,0,0,0|1,1,0]=3 215 B12R1.48 CSc1ccc(cc1O)C(=O)O MB30298 [0,1,0,0,0,0|0,1,0]=2 216 B12R1.48 Cc1c(ccc(n1)[N+](=O)[O-])OC AB53573 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.48 Cc1cc(cnc1OC)C(=O)O AB70810 [0,1,0,0,0,0|1,0,0]=2 218 B12R1.48 Cc1cc(cnc1OC)[N+](=O)[O-] AB20995 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.48 c1c(c(cnc1C(=O)O)C=O)N AB83685 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.48 c1c(c(cnc1C(=O)O)C=O)O AB75433 [0,1,0,0,0,0|3,0,0]=4 221 B12R1.48 c1c(cnc(c1N)C=O)C(=O)O AB83742 [0,1,0,0,0,0|3,0,0]=4 222 B12R1.48 c1c(cnc(c1O)C=O)C(=O)O AB84590 [0,1,0,0,0,0|3,0,0]=4 223 B12R1.48 c1cc(c(cc1C(=O)N)O)C#N MB26792 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.48 c1cc(c(cc1C(=O)N)O)CN MB34020 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.48 c1cc(c(cc1C(=O)O)O)C#N MB27102 [0,1,0,0,0,0|2,0,0]=3 226 B12R1.48 c1cc(c(cc1C(=O)O)O)CN MB25917 [0,1,0,0,0,0|2,0,0]=3 227 B12R1.48 c1cc(nc(c1C=O)N)C(=O)O AB83714 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.48 c1cc(nc(c1C=O)O)C(=O)O AB84546 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.113 B(c1ccc(cc1)CCC)(O)O AB07462 [0,1,0,0,0,0|2,0,1]=4 230 B12R1.113 B(c1ccc(cc1)COC)(O)O AB16006 [0,1,0,0,0,0|1,0,1]=3 231 B12R1.113 B(c1ccc(cc1)OCC)(O)O AB06924 [0,1,0,0,0,0|1,0,1]=3 232 B12R1.113 B(c1ccc(cc1)SCC)(O)O AB08647 [0,1,0,0,0,0|1,1,1]=4 233 B12R1.113 B(c1ccc(nc1)OCC)(O)O AB23096 [0,1,0,0,0,0|2,0,1]=4 234 B12R1.113 CC(=O)c1ccc(cc1)CC#C AB73223 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] AB09600 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O AB08109 [0,1,0,0,0,0|2,0,1]=4 237 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O AB03988 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O AB08067 [0,1,0,0,0,0|2,0,1]=4 239 B12R1.256 B(c1ccc(cc1)N(C)C)(O)O AB08086 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.256 B(c1ccc(cc1)S(=O)C)(O)O AB10761 [0,1,0,0,0,0|1,1,1]=4 241 B12R1.256 CC(=O)c1ccc(nc1)C(=O)O AB60293 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.256 CC(=O)c1ccc(nc1)N(C)C AB67490 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.256 CC(C)c1cnc(cn1)C(=O)O AB73121 [0,1,0,0,0,0|3,0,0]=4 244 B12R1.256 CN(C)c1ccc(cc1)C(=N)N AB18271 [0,1,0,0,0,0|3,0,0]=4 245 B12R1.256 CN(C)c1ccc(cn1)C(=O)O AB30638 [0,1,0,0,0,0|2,0,0]=3 246 B12R1.256 CN(C)c1ncc(cn1)C(=O)O AB25342 [0,1,0,0,0,0|3,0,0]=4 247 B12R1.256 c1cc(ncc1C(=O)O)C(F)F AB71409 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.256 c1cc(ncc1C(F)F)C(=O)O AB74743 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O AB17947 [0,1,0,0,0,0|3,0,0]=4 250 B12R1.452 B(=O)c1ccc(c(c1)Cl)C(=O)Cl AB30721 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.452 B(c1ccc(cc1C)OC)(O)O AB12612 [0,1,0,0,0,0|1,0,1]=3 252 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O AB14285 [0,1,0,0,0,0|1,0,1]=3 253 B12R1.452 B(c1ccc(cc1F)OC)(O)O AB17344 [0,1,0,0,0,0|1,0,1]=3 254 B12R1.452 B(c1ccc(nc1C)OC)(O)O AB21731 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.452 B(c1ccc(nc1Cl)OC)(O)O AB63067 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.452 B(c1ccc(nc1N)OC)(O)O AB67126 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.452 B(c1cnc(cc1C)OC)(O)O AB32136 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.452 CC(=O)c1c(cc(cn1)OC)N AB77142 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.452 CC(=O)c1ccc(cc1F)OC PB30564 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.452 CC(=O)c1ccc(nc1Cl)OC AB67053 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.452 CC(=O)c1ccc(nc1F)OC AB72632 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.452 CC(=O)c1ccc(nc1N)OC AB75424 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.452 CC(=O)c1cnc(cc1N)OC AB83815 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.452 CC(=O)c1cnc(cc1O)OC AB72642 [0,1,0,0,0,0|2,0,0]=3 267 B12R1.452 CC(=O)c1cnc(nc1Cl)OC AB76967 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.452 CC(C)c1ccc(cc1F)OC PB12327 [0,1,0,0,0,0|2,0,1]=4 269 B12R1.452 CC(C)c1ccc(cc1O)OC MB37919 [0,1,0,0,0,0|2,0,1]=4 270 B12R1.452 CCc1ccc(c(c1)O)C(=O)N MB23792 [0,1,0,0,0,0|2,0,0]=3 271 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.452 CCc1ccc(c(n1)O)C(=O)O AB53119 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.452 CN(C)c1ccc(cc1O)OC MB27728 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.452 CNc1ccc(c(c1)O)C(=O)N MB37392 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,1,0,0,0,0|1,0,0]=2 276 B12R1.452 COc1cc(c(cn1)C(=O)O)Br AB67019 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.452 COc1cc(c(cn1)C(=O)O)Cl AB67014 [0,1,0,0,0,0|1,0,0]=2 278 B12R1.452 COc1cc(c(cn1)C(=O)O)F AB67025 [0,1,0,0,0,0|1,0,0]=2 279 B12R1.452 COc1cc(c(cn1)C(=O)O)N PB26882 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.452 COc1cc(c(cn1)C(=O)O)O AB67046 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.452 COc1cc(c(cn1)[N+](=O)[O-])N AB65147 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.452 COc1cc(c(nc1)C(=O)O)N AB77164 [0,1,0,0,0,0|1,0,0]=2 283 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] MB00782 [0,1,0,0,0,0|1,0,1]=3 284 B12R1.452 COc1ccc(c(c1)N)C(=O)O AB06724 [0,1,0,0,0,0|0,0,0]=1 285 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] MB00826 [0,1,0,0,0,0|1,0,1]=3 286 B12R1.452 COc1ccc(c(n1)Br)[N+](=O)[O-] AB42305 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O AB44161 [0,1,0,0,0,0|1,0,0]=2 288 B12R1.452 COc1ccc(c(n1)N)C(=O)O AB69714 [0,1,0,0,0,0|1,0,0]=2 289 B12R1.452 COc1ccc(c(n1)N)[N+](=O)[O-] AB13809 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.452 CSc1ccc(c(c1)O)C(=O)N MB38873 [0,1,0,0,0,0|1,1,0]=3 291 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,1,0,0,0,0|0,1,0]=2 292 B12R1.452 Cc1c(ncc(n1)OC)C(=O)C AB85670 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.452 Cc1c(ncc(n1)OC)C(=O)O AB85662 [0,1,0,0,0,0|2,0,0]=3 294 B12R1.452 Cc1cc(ncc1[N+](=O)[O-])OC CB10664 [0,1,0,0,0,0|2,0,1]=4 295 B12R1.452 c1c(cnc(c1Cl)C(=O)O)C=O AB73621 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.452 c1c(cnc(c1N)C(=O)O)C=O AB83553 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.452 c1c(ncc(c1N)C(=O)O)C=O AB83443 [0,1,0,0,0,0|3,0,0]=4 298 B12R1.452 c1cc(c(cc1C#N)O)C(=O)N MB30427 [0,1,0,0,0,0|3,0,0]=4 299 B12R1.452 c1cc(c(cc1C#N)O)C(=O)O MB26600 [0,1,0,0,0,0|2,0,0]=3 300 B12R1.452 c1cc(c(cc1C=O)O)C(=O)N MB37703 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,1,0,0,0,0|2,0,0]=3 302 B12R1.452 c1cc(c(cc1CN)O)C(=O)N MB36467 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.452 c1cc(c(cc1NN)Br)C(=O)N MB19783 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.452 c1cc(c(nc1C=O)N)C(=O)O AB83510 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.31 CCc1[nH]c(cn1)C(=O)O AB23181 [0,0,0,0,1,0|3,0,0]=4 306 B10R1.31 CCc1cc(no1)C(=O)O AB22807 [0,0,0,0,1,0|3,0,0]=4 307 B10R1.31 COc1cc(on1)C(=O)O AB31988 [0,0,0,0,1,0|2,0,0]=3 308 B10R1.31 COc1ncc(s1)C(=O)O AB50992 [0,0,0,0,1,0|2,0,0]=3 309 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,0,0,0,0,1|1,0,0]=2 310 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,0,0,0,0,1|2,0,1]=4 311 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,0,0,0,0,1|2,0,0]=3 312 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,0,0,0,0,1|1,0,0]=2 313 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [0,0,0,0,0,1|2,0,0]=3 314 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,0,0,0,0,1|2,0,1]=4 315 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,0,0,0,0,1|2,0,1]=4 316 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.1 CCc1ccc(cn1)O MB03842 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.1 CNc1ccc(cn1)O AB69733 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|1,0,1]=4 321 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 328 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 329 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 330 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 331 B9R1.1 COc1ncc(cn1)O AB58606 [2,0,0,0,0,0|2,0,0]=4 332 B9R1.1 CSc1ccc(cn1)O MB25590 [2,0,0,0,0,0|1,1,0]=4 333 B9R1.1 Cc1ccc(cn1)C=C PB17233 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|1,0,0]=3 335 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|1,0,1]=4 336 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|1,0,0]=3 337 B9R1.1 Cc1ccc(nn1)C=O AB44106 [2,0,0,0,0,0|2,0,0]=4 338 B9R1.1 Cc1cnc(cn1)C=O PB23818 [2,0,0,0,0,0|2,0,0]=4 339 B9R1.1 Cc1cnc(nc1)C=O PB31489 [2,0,0,0,0,0|2,0,0]=4 340 B9R1.1 Cc1ncc(cn1)C=O PB13046 [2,0,0,0,0,0|2,0,0]=4 341 B9R1.1 c1c(cnc(n1)C=O)O AB59744 [2,0,0,0,0,0|2,0,0]=4 342 B9R1.1 c1c(cnc(n1)O)C=O AB58472 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.1 c1cc(ccc1CI)O MB06957 [2,0,0,0,0,0|1,0,1]=4 344 B9R1.1 c1cc(ccc1CN)O AB11678 [2,0,0,0,0,0|1,0,1]=4 345 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 351 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 352 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|1,0,0]=3 354 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.6 c1c(cncn1)C(=O)O PB23195 [2,0,0,0,0,0|2,0,0]=4 358 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|1,0,0]=3 361 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|1,0,0]=3 364 B9R1.6 c1cncnc1C(=O)O PB29023 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.6 c1cnncc1C(=O)O PB17054 [2,0,0,0,0,0|2,0,0]=4 366 B11R1.83 C#CCc1ccc(cc1)C=O AB61406 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.83 CCOc1ccc(nc1)C=O AB73192 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.83 COc1ccc(cc1)CC#C AB61379 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.83 COc1ccc(cc1)CC=O AB11810 [1,1,0,0,0,0|0,0,0]=2 370 B11R1.83 COc1ccc(cc1)CCO AB00284 [1,1,0,0,0,0|0,0,1]=3 371 B11R1.83 COc1ccc(cc1)CNN PB19937 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.83 COc1ccc(cn1)N=C=O AB74207 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.83 c1cc(ccc1C=O)N=C=O AB74254 [1,1,0,0,0,0|1,0,1]=4 375 B11R1.83 c1cc(ccc1CCN)CO AB30409 [1,1,0,0,0,0|1,0,1]=4 376 B11R1.279 CCc1ccc(c(c1)O)C=O MB23811 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.279 CCc1ccc(c(c1)O)OC MB23985 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.279 CCc1ccc(cc1O)C=O MB23812 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.279 CCc1ccc(cc1O)OC MB04144 [1,1,0,0,0,0|1,0,1]=4 380 B11R1.279 CNc1ccc(c(c1)O)C=O MB38816 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.279 CNc1ccc(cc1O)C=O MB01978 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.279 CNc1ccc(cc1O)OC MB36336 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.279 COc1c(cc(cn1)C=O)Br AB70947 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.279 COc1c(cc(cn1)C=O)Cl AB20954 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.279 COc1c(cc(cn1)C=O)F AB17649 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.279 COc1cc(c(cn1)C=O)Br AB67009 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.279 COc1cc(c(cn1)C=O)Cl AB66998 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.279 COc1cc(c(cn1)C=O)N AB83675 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.279 COc1cc(c(cn1)C=O)O AB74871 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.279 COc1cc(c(nc1)C=O)N AB83737 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.279 COc1cc(c(nc1)C=O)O AB84580 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.279 COc1ccc(c(c1)Br)C#N MB06936 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.279 COc1ccc(c(c1)F)CBr AB50043 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.279 COc1ccc(c(c1)F)CN AB20685 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.279 COc1ccc(c(c1)F)CO AB20682 [1,1,0,0,0,0|0,0,1]=3 396 B11R1.279 COc1ccc(c(c1)N)C#N AB21542 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.279 COc1ccc(c(c1)N)C=O AB54699 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.279 COc1ccc(c(c1)O)C#N AB45806 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.279 COc1ccc(c(c1)O)CN MB05065 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.279 COc1ccc(c(c1)O)OC MB00643 [1,1,0,0,0,0|2,0,0]=4 401 B11R1.279 COc1ccc(c(c1)O)SC MB25870 [1,1,0,0,0,0|2,0,0]=4 402 B11R1.279 COc1ccc(c(n1)Br)C=O AB68201 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.279 COc1ccc(c(n1)Cl)C=O AB59889 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.279 COc1ccc(c(n1)F)C=O AB71338 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.279 COc1ccc(c(n1)N)C=O AB76143 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.279 COc1ccc(c(n1)O)C=O AB84537 [1,1,0,0,0,0|1,0,0]=3 407 B11R1.279 COc1ccc(cc1Br)C#N AB03835 [1,1,0,0,0,0|1,0,1]=4 408 B11R1.279 COc1ccc(cc1Cl)CN CB10485 [1,1,0,0,0,0|1,0,1]=4 409 B11R1.279 COc1ccc(cc1F)C#N AB04880 [1,1,0,0,0,0|1,0,1]=4 410 B11R1.279 COc1ccc(cc1O)C#N MB02393 [1,1,0,0,0,0|1,0,1]=4 411 B11R1.279 COc1ccc(cc1O)SC MB37214 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.279 COc1cnc(c(n1)Cl)C=O AB60389 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.279 COc1cnc(cc1Cl)C=O AB67540 [1,1,0,0,0,0|1,0,0]=3 414 B11R1.279 COc1ncc(c(n1)N)C=O AB42558 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.279 CSc1ccc(c(c1)O)C=O MB32919 [1,1,0,0,0,0|0,1,0]=3 416 B11R1.279 CSc1ccc(cc1O)C=O MB32965 [1,1,0,0,0,0|0,1,0]=3 417 B11R1.279 Cc1c(ncc(n1)OC)C=O AB85667 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.279 Cc1cc(cnc1OC)C=O AB64858 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.279 c1cc(c(cc1C#N)F)C=O AB32080 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.279 c1cc(c(cc1C#N)O)C=O MB06108 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.279 c1cc(c(cc1C=O)F)C#N AB28328 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.279 c1cc(c(cc1C=O)O)C#N MB25582 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.279 c1cc(c(cc1C=O)O)C=O MB31163 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.279 c1cc(c(cc1CN)O)C=O MB27592 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [1,1,0,0,0,0|1,0,1]=4 426 B11R1.21 B(c1ccc(c(c1)C)C)(O)O AB07958 [1,1,0,0,0,0|1,0,1]=4 427 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O AB17244 [1,1,0,0,0,0|1,0,1]=4 428 B11R1.21 B(c1ccc(c(c1)F)O)(O)O AB26445 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.21 B(c1ccc(c(c1)N)C)(O)O AB08081 [1,1,0,0,0,0|1,0,1]=4 430 B11R1.21 B(c1ccc(c(c1)N)C)(O)O AB09464 [1,1,0,0,0,0|1,0,1]=4 431 B11R1.21 B(c1ccc(c(c1)O)C)(O)O AB08101 [1,1,0,0,0,0|1,0,1]=4 432 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [1,1,0,0,0,0|2,0,0]=4 436 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [1,1,0,0,0,0|1,0,0]=3 439 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [1,1,0,0,0,0|1,0,0]=3 440 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl AB74921 [1,1,0,0,0,0|2,0,0]=4 443 B11R1.21 Cc1c(ccc(n1)C(=O)O)F AB62793 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.21 Cc1c(nc(cn1)C(=O)O)C AB13799 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [1,1,0,0,0,0|1,0,0]=3 446 B11R1.21 Cc1cc(cnc1Br)C(=O)O AB62965 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [1,1,0,0,0,0|1,0,0]=3 449 B11R1.21 Cc1cc(cnc1Cl)C(=O)O AB71754 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.21 Cc1cc(cnc1F)C(=O)O AB42633 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.21 Cc1cc(ncc1Br)C(=O)O AB41173 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.21 Cc1cc(ncc1Cl)C(=O)O AB41176 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.21 Cc1cc(ncc1F)C(=O)O AB74791 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [1,1,0,0,0,0|1,1,0]=4 458 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [1,1,0,0,0,0|1,0,0]=3 459 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [1,1,0,0,0,0|1,0,0]=3 462 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [1,1,0,0,0,0|1,0,0]=3 464 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.21 Cc1cnc(c[n+]1[O-])C(=O)O MB01535 [1,1,0,0,0,0|2,0,0]=4 467 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [1,1,0,0,0,0|2,0,0]=4 469 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [1,1,0,0,0,0|1,0,0]=3 470 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [1,1,0,0,0,0|2,0,0]=4 471 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [1,1,0,0,0,0|1,0,0]=3 472 B11R1.21 Cn1cc(ccc1=O)C(=O)O PB21634 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.21 c1c(c(cnc1C(=O)O)Br)Cl AB67645 [1,1,0,0,0,0|2,0,0]=4 475 B11R1.21 c1c(c(cnc1C(=O)O)Br)N PB21081 [1,1,0,0,0,0|2,0,0]=4 476 B11R1.21 c1c(c(cnc1C(=O)O)Cl)Cl AB63131 [1,1,0,0,0,0|2,0,0]=4 477 B11R1.21 c1c(c(cnc1C(=O)O)Cl)F AB74911 [1,1,0,0,0,0|2,0,0]=4 478 B11R1.21 c1c(c(cnc1C(=O)O)Cl)N AB75270 [1,1,0,0,0,0|2,0,0]=4 479 B11R1.21 c1c(c(cnc1C(=O)O)Cl)O AB74886 [1,1,0,0,0,0|2,0,0]=4 480 B11R1.21 c1c(c(cnc1C(=O)O)F)Cl AB67663 [1,1,0,0,0,0|2,0,0]=4 481 B11R1.21 c1c(c(cnc1C(=O)O)F)F AB73187 [1,1,0,0,0,0|2,0,0]=4 482 B11R1.21 c1c(c(cnc1C(=O)O)N)Cl AB67747 [1,1,0,0,0,0|2,0,0]=4 483 B11R1.21 c1c(c(cnc1C(=O)O)N)F AB73539 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.21 c1c(c(cnc1C(=O)O)O)Cl AB67787 [1,1,0,0,0,0|1,0,0]=3 485 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O AB10529 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O PB29008 [1,1,0,0,0,0|2,0,0]=4 487 B11R1.21 c1c(cnc(c1Cl)F)C(=O)O AB15015 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O AB63730 [1,1,0,0,0,0|2,0,0]=4 489 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O AB02225 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.21 c1c(cnc(c1F)Br)C(=O)O AB62700 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.21 c1c(cnc(c1F)Cl)C(=O)O AB64027 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.21 c1c(cnc(c1F)F)C(=O)O PB14646 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.21 c1c(cnc(c1N)Cl)C(=O)O AB75265 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.21 c1c(cnc(c1N)N)C(=O)O AB60261 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.21 c1c(cnc(c1O)Cl)C(=O)O AB72035 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [1,1,0,0,0,0|2,0,0]=4 503 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [1,1,0,0,0,0|2,0,0]=4 505 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [1,1,0,0,0,0|2,0,0]=4 506 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [1,1,0,0,0,0|0,0,0]=2 510 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.21 c1cc(nc(c1Cl)F)C(=O)O AB49341 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O AB74552 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O AB66795 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.21 c1cc(nc(c1F)F)C(=O)O AB49344 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.21 c1cc(nc(c1N)Cl)C(=O)O AB75268 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O AB64506 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [1,1,0,0,0,0|2,0,0]=4 524 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [1,1,0,0,0,0|2,0,0]=4 526 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [1,1,0,0,0,0|2,0,0]=4 527 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [1,1,0,0,0,0|2,0,0]=4 528 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [1,1,0,0,0,0|0,0,1]=3 536 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [1,1,0,0,0,0|0,0,1]=3 537 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,1,0,0,0,0|1,0,1]=4 544 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [1,1,0,0,0,0|0,0,1]=3 545 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.166 B(c1ccc(cc1C)C)(O)O AB12317 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.166 B(c1ccc(cc1Cl)C)(O)O AB14287 [1,1,0,0,0,0|1,0,1]=4 550 B11R1.166 B(c1ccc(cc1Cl)O)(O)O AB12627 [1,1,0,0,0,0|1,0,1]=4 551 B11R1.166 B(c1ccc(cc1F)C)(O)O PB26163 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [1,1,0,0,0,0|1,0,1]=4 553 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [1,1,0,0,0,0|1,0,0]=3 567 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [1,1,0,0,0,0|1,0,0]=3 570 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [1,1,0,0,0,0|2,0,0]=4 582 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [1,1,0,0,0,0|2,0,0]=4 587 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [1,1,0,0,0,0|2,0,0]=4 590 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [1,1,0,0,0,0|1,0,0]=3 592 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [1,1,0,0,0,0|2,0,0]=4 594 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [1,1,0,0,0,0|1,0,0]=3 595 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [1,1,0,0,0,0|2,0,0]=4 598 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [1,1,0,0,0,0|2,0,0]=4 603 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [1,1,0,0,0,0|2,0,0]=4 604 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)O AB56016 [1,1,0,0,0,0|2,0,0]=4 605 B11R1.166 Cc1ncc(c(n1)N)C(=O)O AB04459 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.166 Cc1ncc(c(n1)O)C(=O)O AB48543 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [1,1,0,0,0,0|2,0,0]=4 630 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [1,1,0,0,0,0|2,0,0]=4 631 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [1,1,0,0,0,0|2,0,0]=4 632 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [1,1,0,0,0,0|0,0,0]=2 644 B11R1.166 c1cc(c(cc1O)Br)[N+](=O)[O-] MB08147 [1,1,0,0,0,0|1,0,1]=4 645 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] MB01255 [1,1,0,0,0,0|1,0,1]=4 647 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AB01868 [1,1,0,0,0,0|1,0,1]=4 649 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [1,1,0,0,0,0|1,0,0]=3 650 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [1,1,0,0,0,0|0,0,0]=2 651 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [1,1,0,0,0,0|0,0,0]=2 653 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [1,1,0,0,0,0|2,0,0]=4 654 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.48 Cn1cc(nc1OC)C(=O)O AB66833 [0,1,0,0,1,0|2,0,0]=4 664 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [0,1,0,0,0,1|1,0,0]=3 665 B13R1.35 COc1ccc(cc1O)NC(=S)N AB53235 [0,1,0,0,0,1|1,1,0]=4 666 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB11989 [0,1,0,0,0,1|1,0,0]=3 667 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB24615 [0,1,0,0,0,1|1,0,0]=3 668 B13R1.36 CCc1ccc(cc1)[C@@H](C(=O)O)N AB32689 [0,1,0,0,0,1|1,0,0]=3 669 B13R1.36 CCc1ccc(cc1)[C@H](C(=O)O)N AB32688 [0,1,0,0,0,1|1,0,0]=3 670 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,1,0,0,0,1|0,0,0]=2 671 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,1,0,0,0,1|0,0,0]=2 672 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,1,0,0,0,1|0,0,0]=2 673 B13R1.142 c1cc(ccc1CCN)CC(=O)O AB30412 [0,1,0,0,0,1|1,0,0]=3 674 B13R1.585 B(c1ccc(cc1)CC(=O)O)(O)O AB14708 [0,1,0,0,0,1|2,0,0]=4 675 B13R1.585 c1cc(ccc1CC(=O)O)C(=N)N AB18250 [0,1,0,0,0,1|2,0,0]=4 676 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,1,0,0,0,1|1,0,0]=3 677 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,1,0,0,0,1|0,0,0]=2 678 B13R1.95 CCc1ccc(c(c1)O)C(=O)NC MB23786 [0,2,0,0,0,0|2,0,0]=4 679 B13R1.95 CNC(=O)c1ccc(cc1O)OC MB09393 [0,2,0,0,0,0|1,0,0]=3 680 B13R1.95 CNC(=O)c1ccc(cc1O)SC MB28267 [0,2,0,0,0,0|1,1,0]=4 681 B13R1.95 COC(=O)c1ccc(cc1Br)CBr AB16573 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.95 COc1ccc(c(c1)F)C(=O)C=O AB49791 [0,2,0,0,0,0|0,0,1]=3 683 B13R1.95 COc1ccc(c(n1)Cl)C(=O)OC AB44747 [0,2,0,0,0,0|1,0,0]=3 684 B13R1.95 COc1cnc(c(n1)N)C(=O)OC AB64404 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.95 Cc1c(ncc(n1)OC)C(=O)OC AB85664 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB45359 [0,2,0,0,0,0|0,0,1]=3 687 B13R1.139 CCOc1ccc(cc1)C(=O)C=O AB48696 [0,2,0,0,0,0|0,0,1]=3 688 B13R1.139 COC(=O)c1ccc(cc1)CC#C AB73220 [0,2,0,0,0,0|1,0,1]=4 689 B13R1.139 COC(=O)c1ccc(cc1)CCBr CB11804 [0,2,0,0,0,0|1,0,0]=3 690 B13R1.187 CC(CN)(c1ccc(cc1)OC)O AB31021 [0,2,0,0,0,0|1,0,1]=4 691 B13R1.187 CC(CN)(c1ccc(cc1)OC)O AB49437 [0,2,0,0,0,0|1,0,1]=4 692 B13R1.452 COc1ccc(cc1)C(CCO)N AB10350 [0,2,0,0,0,0|1,0,1]=4 693 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O AB09470 [0,2,0,0,0,0|1,0,1]=4 694 B13R1.537 CN(C)c1ccc(cc1)C(=O)C=O AB05269 [0,2,0,0,0,0|1,0,1]=4 695 B13R1.537 COC(=N)c1ccc(cc1)[N+](=O)[O-] AB60986 [0,2,0,0,0,0|1,0,1]=4 696 B13R1.537 COC(=O)c1ccc(cc1)C(=N)N AB60963 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.537 c1cc(ccc1C(=O)C=O)C(=O)O AB23256 [0,2,0,0,0,0|1,0,1]=4 698 B13R1.3088 CCc1ccc(cc1O)C(=O)NC MB23816 [0,2,0,0,0,0|2,0,0]=4 699 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC MB28716 [0,2,0,0,0,0|1,0,0]=3 700 B13R1.3088 CNc1ccc(cc1O)C(=O)NC MB29739 [0,2,0,0,0,0|2,0,0]=4 701 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)C#N AB66183 [0,2,0,0,0,0|2,0,0]=4 702 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr AB56294 [0,2,0,0,0,0|2,0,0]=4 703 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB56297 [0,2,0,0,0,0|2,0,0]=4 704 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN AB66180 [0,2,0,0,0,0|2,0,0]=4 705 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr AB05832 [0,2,0,0,0,0|2,0,0]=4 706 B13R1.3088 COC(=O)c1ccc(c(c1)F)CN AB66184 [0,2,0,0,0,0|2,0,0]=4 707 B13R1.3088 COc1c(cc(cn1)C(=O)OC)N AB76549 [0,2,0,0,0,0|1,0,0]=3 708 B13R1.96 COc1ccc(c(c1)O)S(=O)(=O)N MB29668 [0,2,0,0,0,0|1,0,1]=4 709 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C AB01457 [0,2,0,0,0,0|1,1,0]=4 710 B13R1.338 CC(C)(C)c1ccc(cn1)C(=O)O PB10487 [0,2,0,0,0,0|2,0,0]=4 711 B13R1.338 CC(C)(C)c1ccc(nc1)C(=O)O CB11849 [0,2,0,0,0,0|2,0,0]=4 712 B13R1.338 [B-](c1ccc(cc1)C(=O)O)(F)(F)F AB20502 [0,2,0,0,0,0|2,0,0]=4 713 B13R1.120 B(c1ccc(c(c1)Cl)C(=O)O)(O)O AB25493 [0,2,0,0,0,0|2,0,0]=4 714 B13R1.120 B(c1ccc(c(c1)F)C(=O)O)(O)O AB08322 [0,2,0,0,0,0|2,0,0]=4 715 B13R1.120 B(c1ccc(cc1Cl)C(=O)O)(O)O AB30715 [0,2,0,0,0,0|2,0,0]=4 716 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O AB11202 [0,2,0,0,0,0|2,0,0]=4 717 B13R1.120 B(c1ccc(cc1N)C(=O)O)(O)O AB25438 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.120 CC(=O)c1c(cc(cn1)C(=O)O)N AB83859 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.120 CC(=O)c1c(cc(cn1)C(=O)O)O AB84325 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.120 CC(=O)c1cc(c(cn1)C(=O)O)N AB83445 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.120 CC(=O)c1cc(c(nc1)C(=O)O)N AB83554 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.120 CC(=O)c1ccc(c(n1)N)C(=O)O AB83513 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.120 CC(=O)c1ccc(nc1O)C(=O)O AB84286 [0,2,0,0,0,0|2,0,0]=4 724 B13R1.120 CC(=O)c1cnc(cc1N)C(=O)O AB83820 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.120 CC(=O)c1cnc(cc1O)C(=O)O AB84206 [0,2,0,0,0,0|2,0,0]=4 726 B13R1.120 CC(C)c1ccc(c(c1)O)C(=O)N MB22464 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.120 CC(C)c1ccc(c(c1)O)C(=O)O MB09464 [0,2,0,0,0,0|1,0,0]=3 728 B13R1.120 CC(C)c1ccc(cc1O)C(=O)N MB22488 [0,2,0,0,0,0|2,0,0]=4 729 B13R1.120 CC(C)c1ccc(cc1O)C(=O)O MB22489 [0,2,0,0,0,0|1,0,0]=3 730 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)N MB24773 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.120 CN(C)c1ccc(cc1O)C(=O)N MB24793 [0,2,0,0,0,0|2,0,0]=4 732 B13R1.120 CN(C)c1ccc(cc1O)C(=O)O MB24796 [0,2,0,0,0,0|1,0,0]=3 733 B13R1.120 c1cc(c(cc1C(=O)N)O)C(=O)O MB28342 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.120 c1cc(c(cc1C(=O)O)F)[N+](=O)[O-] AB10204 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)N MB33903 [0,2,0,0,0,0|2,0,0]=4 736 B13R1.120 c1cc(c(cc1C(=O)O)O)C(=O)O MB07827 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.120 c1cc(c(cc1C(=O)O)O)[N+](=O)[O-] AB00843 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.144 B(c1ccc(c(c1)C)OCC)(O)O AB26516 [0,2,0,0,0,0|1,0,1]=4 739 B13R1.144 B(c1ccc(c(c1)Cl)OCC)(O)O AB15792 [0,2,0,0,0,0|1,0,1]=4 740 B13R1.144 CCOc1c(cc(cn1)C(=O)O)F AB76975 [0,2,0,0,0,0|1,0,0]=3 741 B13R1.652 B(c1cc(c(cc1C)OC)C)(O)O AB30054 [0,2,0,0,0,0|1,0,1]=4 742 B13R1.652 B(c1cc(c(cc1F)OC)Cl)(O)O AB17618 [0,2,0,0,0,0|1,0,1]=4 743 B13R1.652 B(c1cc(c(cc1F)OC)F)(O)O AB17187 [0,2,0,0,0,0|1,0,1]=4 744 B13R1.652 COc1cc(c(cc1F)C(=O)O)N PB36061 [0,2,0,0,0,0|0,0,0]=2 745 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)OC PB22443 [0,2,0,0,0,0|1,0,1]=4 746 B13R1.3091 B(c1ccc(c(c1)C#N)OC)(O)O AB59553 [0,2,0,0,0,0|1,0,1]=4 747 B13R1.3091 B(c1ccc(c(c1)C=O)OC)(O)O AB10795 [0,2,0,0,0,0|1,0,1]=4 748 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O AB08049 [0,2,0,0,0,0|1,0,1]=4 749 B13R1.3091 COc1cc(ccc1CN)C(=O)O AB21166 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.3091 COc1ccc(cc1OC)C(=N)N AB09711 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.3096 B(c1ccc(c(c1F)F)OC)(O)O AB31961 [0,2,0,0,0,0|1,0,1]=4 752 B13R1.3380 B(c1cc(c(c(c1)C)OC)C)(O)O AB08315 [0,2,0,0,0,0|1,0,1]=4 753 B13R1.3380 B(c1cc(c(c(c1)Cl)OC)C)(O)O AB17241 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.3380 B(c1cc(c(c(c1)Cl)OC)Cl)(O)O AB17265 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.3380 B(c1cc(c(c(c1)F)OC)F)(O)O AB48713 [0,2,0,0,0,0|1,0,1]=4 756 B13R1.74 B(c1ccc(cc1)OCCC)(O)O AB15054 [0,2,0,0,0,0|1,0,1]=4 757 B13R1.74 B(c1ccc(cc1)OCOC)(O)O AB14354 [0,2,0,0,0,0|1,0,1]=4 758 B13R1.74 B(c1ccc(cc1)SCOC)(O)O AB17545 [0,2,0,0,0,0|1,0,1]=4 759 B13R1.385 B(c1ccc(cc1C)OCC)(O)O AB20348 [0,2,0,0,0,0|1,0,1]=4 760 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O AB12620 [0,2,0,0,0,0|1,0,1]=4 761 B13R1.99 B(c1ccc(cc1C=O)OC)(O)O AB08871 [0,2,0,0,0,0|1,0,1]=4 762 B13R1.99 B(c1ccc(cc1OC)OC)(O)O AB08057 [0,2,0,0,0,0|1,0,1]=4 763 B13R1.99 CC(=O)c1cnc(cc1OC)OC AB74874 [0,2,0,0,0,0|2,0,0]=4 764 B13R1.99 COc1cc(c(nc1)C(=O)O)OC AB74700 [0,2,0,0,0,0|1,0,0]=3 765 B13R1.99 COc1cc(ncc1C(=O)O)OC AB74667 [0,2,0,0,0,0|1,0,0]=3 766 B13R1.99 COc1ccc(c(c1)C#N)[N+](=O)[O-] MB07019 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.99 COc1ccc(c(c1)C=O)[N+](=O)[O-] AB06040 [0,2,0,0,0,0|1,0,1]=4 768 B13R1.99 COc1ccc(c(c1)CBr)[N+](=O)[O-] AB43682 [0,2,0,0,0,0|1,0,1]=4 769 B13R1.99 COc1ccc(c(c1)OC)C(=N)N AB18295 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.99 COc1ccc(c(n1)OC)C(=O)O AB02889 [0,2,0,0,0,0|1,0,0]=3 771 B13R1.428 B(c1c(cc(cc1C)OC)C)(O)O AB15464 [0,2,0,0,0,0|1,0,1]=4 772 B13R1.428 B(c1c(cc(cc1F)OC)F)(O)O AB22342 [0,2,0,0,0,0|1,0,1]=4 773 B13R1.428 c1c(cc(c(c1Cl)C(=O)O)Cl)C#N PB12903 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,0,1,1,0,0|2,0,0]=4 775 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,0,1,1,0,0|2,0,0]=4 776 B13R2.2121 COC1=CC2C(=NC(=N2)O)C=C1 AB02155 [0,0,0,1,0,1|1,0,1]=4 777 B13R2.2121 COc1cc2c(cn1)CC(=O)N2 AB48334 [0,0,0,1,0,1|2,0,0]=4 778 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,0,0,1,0,1|2,0,0]=4 779 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,0,0,1,0,1|2,0,0]=4 780 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,0,0,1,0,1|1,0,0]=3 781 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,0,0,1,0,1|1,0,0]=3 782 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,0,0,1,0,1|2,0,0]=4 783 B13R2.2121 COc1ccc2c(c1)oc(n2)Cl AB73086 [0,0,0,1,0,1|1,0,0]=3 784 B13R2.2121 COc1ccc2c(c1)sc(n2)Cl AB06750 [0,0,0,1,0,1|1,1,0]=4 785 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,0,0,1,0,1|2,0,0]=4 786 B13R2.2121 COc1ccc2c(n1)NC(=O)C2 AB66484 [0,0,0,1,0,1|2,0,0]=4 787 B13R2.2130 COc1cc2c(cn1)C(=O)NC2 AB77330 [0,1,0,1,0,0|2,0,0]=4 788 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,1,0,1,0,0|1,0,0]=3 789 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,1,0,0|0,0,0]=2 790 B13R2.2130 COc1ccc2c(c1)OCC2N AB45857 [0,1,0,1,0,0|1,0,1]=4 791 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,1,0,1,0,0|1,0,0]=3 792 B13R2.2130 COc1ccc2c(n1)CCC2=O AB70088 [0,1,0,1,0,0|2,0,0]=4 793 B13R2.2130 COc1ccc2c(n1)OCC2=O AB70115 [0,1,0,1,0,0|1,0,0]=3 794 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O AB12166 [0,1,0,1,0,0|1,0,1]=4 795 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O AB07960 [0,1,0,1,0,0|1,0,1]=4 796 B13R2.430 CC(=O)c1cc2c(nc1)OCO2 AB73670 [0,1,0,1,0,0|2,0,0]=4 797 B13R2.430 c1c(cnc2=CCN=c21)C(=O)O PB16180 [0,1,0,1,0,0|2,0,0]=4 798 B13R2.430 c1c(cnc2=NCC=c21)C(=O)O PB20248 [0,1,0,1,0,0|2,0,0]=4 799 B13R2.430 c1c(cnc2c1CCN2)C(=O)O AB26245 [0,1,0,1,0,0|2,0,0]=4 800 B13R2.430 c1c(cnc2c1CN=N2)C(=O)O PB34425 [0,1,0,1,0,0|2,0,0]=4 801 B13R2.430 c1c(cnc2c1OCO2)C(=O)O AB73665 [0,1,0,1,0,0|1,0,0]=3 802 B13R2.430 c1c2=CCN=c2cnc1C(=O)O AB60343 [0,1,0,1,0,0|2,0,0]=4 803 B13R2.430 c1c2=NCC=c2cnc1C(=O)O PB23904 [0,1,0,1,0,0|2,0,0]=4 804 B13R2.430 c1c2c(cnc1C(=O)O)N=NC2 PB13796 [0,1,0,1,0,0|2,0,0]=4 805 B13R2.430 c1cc(cc2c1cco2)C(=O)O MB01639 [0,1,0,1,0,0|1,0,1]=4 806 B13R2.430 c1cc2c(cc1C(=N)N)OCO2 AB30281 [0,1,0,1,0,0|2,0,0]=4 807 B13R2.430 c1cc2c(cc1C(=O)O)CNC2 PB28170 [0,1,0,1,0,0|1,0,0]=3 808 B13R2.430 c1cc2c(cc1C(=O)O)cno2 AB70277 [0,1,0,1,0,0|0,0,1]=3 809 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 AB29416 [0,1,0,1,0,0|0,1,1]=4 810 B13R2.430 c1cc2c(cc1C(=O)O)scn2 AB03450 [0,1,0,1,0,0|1,0,1]=4 811 B13R2.430 c1cc2c(cc1C(=S)N)OCO2 AB12143 [0,1,0,1,0,0|1,1,0]=4 812 B13R2.430 c1cc2c(cco2)cc1C(=O)O MB01638 [0,1,0,1,0,0|0,0,1]=3 813 B13R2.430 c1cc2c(ccs2)cc1C(=O)O MB03434 [0,1,0,1,0,0|0,1,1]=4 814 B13R2.428 c1cc(ncc1C(=O)O)C2CC2 AB74679 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [1,0,0,0,1,0|2,0,0]=4 816 B9R1.21 COc1ncc(s1)C=O AB50989 [1,0,0,0,1,0|2,0,0]=4 817 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [1,0,0,0,1,0|2,0,0]=4 818 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,0,0,0,1,0|1,0,0]=3 819 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [1,0,0,0,1,0|2,0,0]=4 820 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,0,0,0,1,0|1,0,0]=3 821 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,0,0,0,1,0|2,0,0]=4 822 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,0,0,0,1,0|1,0,0]=3 823 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [1,0,0,0,1,0|2,0,0]=4 824 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [1,0,0,0,1,0|2,0,0]=4 825 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [1,0,0,0,1,0|2,0,0]=4 826 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [1,0,0,0,1,0|2,0,0]=4 827 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [1,0,0,0,1,0|2,0,0]=4 828 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [1,0,0,0,1,0|2,0,0]=4 829 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [1,0,0,0,1,0|2,0,0]=4 830 B9R1.35 Cn1cc(cn1)C(=O)O PB27447 [1,0,0,0,1,0|2,0,0]=4 831 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [1,0,0,0,1,0|2,0,0]=4 832 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [1,0,0,0,1,0|2,0,0]=4 833 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [1,0,0,0,1,0|2,0,0]=4 834 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,0,0,0,1,0|2,0,0]=4 835 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [1,0,0,0,1,0|2,0,0]=4 836 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,0,0,0,1,0|2,0,0]=4 837 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,0,0,0,1,0|2,0,0]=4 838 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [1,0,0,0,1,0|2,0,0]=4 839 B9R1.35 c1c(csc1F)C(=O)O PB18609 [1,0,0,0,1,0|2,0,0]=4 840 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,0,0,0,1,0|2,0,0]=4 841 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,0,0,0,1,0|2,0,0]=4 842 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,0,0,0,1,0|2,0,0]=4 843 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,0,0,0,1,0|2,0,0]=4 844 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [1,0,0,0,0,1|2,0,0]=4 845 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [1,0,0,0,0,1|2,0,0]=4 846 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [1,0,0,0,0,1|1,0,0]=3 847 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [1,0,0,0,0,1|1,0,0]=3 848 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [1,0,0,0,0,1|2,0,0]=4 849 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [1,0,0,0,0,1|1,0,0]=3 850 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [1,0,0,0,0,1|2,0,0]=4 851 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [1,0,0,0,0,1|2,0,0]=4 852 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [1,0,0,0,0,1|2,0,0]=4 853 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [1,0,0,0,0,1|2,0,0]=4 854 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [1,0,0,0,0,1|2,0,0]=4 855 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [1,0,0,0,0,1|2,0,0]=4 856 B11R1.266 B(c1cc(ccn1)OC)(O)O AB63993 [0,0,0,0,1,1|1,0,1]=4 857 B11R1.266 B(c1cc(cnc1)OC)(O)O AB14737 [0,0,0,0,1,1|1,0,1]=4 858 B11R1.266 B(c1cccc(c1)OC)(O)O AB04236 [0,0,0,0,1,1|1,0,1]=4 859 B11R1.266 B(c1ccnc(c1)OC)(O)O AB32134 [0,0,0,0,1,1|1,0,1]=4 860 B11R1.266 CC(=O)c1cc(ccn1)OC AB60202 [0,0,0,0,1,1|1,0,0]=3 861 B11R1.266 CC(=O)c1cc(cnc1)OC AB41130 [0,0,0,0,1,1|1,0,0]=3 862 B11R1.266 CC(=O)c1cc(ncn1)OC AB76963 [0,0,0,0,1,1|2,0,0]=4 863 B11R1.266 CC(=O)c1cccc(n1)OC AB44858 [0,0,0,0,1,1|2,0,0]=4 864 B11R1.266 CC(=O)c1ccnc(c1)OC AB60316 [0,0,0,0,1,1|1,0,0]=3 865 B11R1.266 CC(=O)c1ccnc(n1)OC AB76951 [0,0,0,0,1,1|2,0,0]=4 866 B11R1.266 COc1cc(ccn1)C(=O)O PB21858 [0,0,0,0,1,1|0,0,0]=2 867 B11R1.266 COc1cc(cnc1)C(=O)O PB12749 [0,0,0,0,1,1|0,0,0]=2 868 B11R1.266 COc1cccc(c1)C(=N)N AB18305 [0,0,0,0,1,1|2,0,0]=4 869 B11R1.266 COc1cccc(c1)C(=S)N AB20844 [0,0,0,0,1,1|1,1,0]=4 870 B11R1.266 COc1cccc(n1)C(=O)N AB43417 [0,0,0,0,1,1|2,0,0]=4 871 B11R1.266 COc1cccc(n1)C(=O)O AB29993 [0,0,0,0,1,1|1,0,0]=3 872 B11R1.266 COc1ccnc(c1)C(=O)N AB07772 [0,0,0,0,1,1|1,0,0]=3 873 B11R1.266 COc1ccnc(c1)C(=O)O AB20458 [0,0,0,0,1,1|0,0,0]=2 874 B11R1.266 COc1ccnc(c1)C(=O)O AB21831 [0,0,0,0,1,1|0,0,0]=2 875 B11R1.266 COc1cncc(n1)C(=O)O AB05020 [0,0,0,0,1,1|1,0,0]=3 876 B11R1.266 c1c(cncc1C(=O)O)C#N AB31370 [0,0,0,0,1,1|2,0,0]=4 877 B11R1.266 c1cnc(cc1C#N)C(=O)O AB49710 [0,0,0,0,1,1|2,0,0]=4 878 B11R1.266 c1cnc(cc1C(=O)O)C#N AB14211 [0,0,0,0,1,1|2,0,0]=4 879 B11R1.266 c1cnc(cc1C(=O)O)CCl AB60022 [0,0,0,0,1,1|2,0,0]=4 880 B11R1.266 c1cnc(cc1C(=O)O)NN PB20224 [0,0,0,0,1,1|2,0,0]=4 881 B13R1.3 B(\C=C\c1ccc(cc1)OC)(O)O AB17446 [0,0,0,0,0,2|1,0,1]=4 882 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,0,0,0,0,2|1,0,0]=3 883 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,0,0,0,0,2|1,0,0]=3 884 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,0,0,0,0,2|0,0,0]=2 885 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [0,0,0,0,0,2|2,0,0]=4 886 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [0,0,0,0,0,2|2,0,0]=4 887 B13R1.3 c1cc(ccc1CCl)\C=C\C(=O)O MB09238 [0,0,0,0,0,2|2,0,0]=4 888 B13R1.3 c1cc(ccc1CO)OCC(=O)O AB02325 [0,0,0,0,0,2|2,0,0]=4 889 B13R1.3 c1cc(ccc1CO)\C=C\C(=O)O MB04671 [0,0,0,0,0,2|2,0,0]=4