0 B12R2.252 c1c2c(sc1C(=O)O)CCC2 TS44890 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.252 c1csc2c1CC(C2)C(=O)O TS71342 [0,0,0,0,0,0|1,0,2]=3 2 B12R2.252 c1csc2c1[nH]c(c2)C(=O)Cl TS48799 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O TS12382 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.252 c1csc2c1cc(s2)C(=O)O TS59834 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.252 c1csc2c1sc(c2)C(=O)O TS15293 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.252 c1csc2n1cc(n2)C(=O)O TS56190 [0,0,0,0,0,0|1,0,1]=2 7 B11R2.15 c1csc2n1cc(n2)C=O TS10171 [1,0,0,0,0,0|1,0,1]=3 8 B11R2.15 c1csc2n1cc(n2)CO TS01920 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.2334 Cn1c2ccsc2cc1C(=O)O TS14796 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.2334 c1csc2c1c(c(s2)C(=O)Cl)Cl TS26005 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.35 c1c(ncs1)CC(C(=O)O)N TS45465 [0,0,1,0,0,0|1,0,2]=4 12 B11R1.35 c1c(ncs1)C[C@@H](C(=O)O)N TS45469 [0,0,1,0,0,0|1,0,2]=4 13 B11R1.35 c1c(ncs1)C[C@H](C(=O)O)N TS45467 [0,0,1,0,0,0|1,0,2]=4 14 B11R1.35 c1c[nH]cc1CC(C(=O)O)N TS10431 [0,0,1,0,0,0|1,0,2]=4 15 B11R1.35 c1cc(sc1)CC(C(=O)O)N TS13010 [0,0,1,0,0,0|2,0,1]=4 16 B11R1.35 c1cc(sc1)C[C@@H](C(=O)O)N TS13019 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.35 c1cc(sc1)C[C@H](C(=O)O)N TS65678 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.35 c1cocc1CC(C(=O)O)N TS41505 [0,0,1,0,0,0|0,1,2]=4 19 B11R1.35 c1cocc1C[C@H](C(=O)O)N TS10561 [0,0,1,0,0,0|0,1,2]=4 20 B11R1.35 c1cscc1CC(C(=O)O)N TS13020 [0,0,1,0,0,0|0,0,2]=3 21 B11R1.35 c1cscc1C[C@@H](C(=O)O)N TS13012 [0,0,1,0,0,0|0,0,2]=3 22 B11R1.35 c1cscc1C[C@H](C(=O)O)N TS13009 [0,0,1,0,0,0|0,0,2]=3 23 B11R1.90 Cc1ccsc1C=CC(=O)O TS44886 [0,0,1,0,0,0|1,0,1]=3 24 B13R2.430 CC(=O)c1cc2cc[nH]c2nc1 TS86162 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.430 CC(=O)c1ccc2c(c1)cc[nH]2 TS11147 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 c1c(cnc2c1[nH]nc2)C(=O)O TS86447 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 c1c2c(cnc1C(=O)O)cn[nH]2 TS86452 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.430 c1c2cn[nH]c2cnc1C(=O)O TS86448 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.430 c1c2cn[nH]c2ncc1C(=O)O TS91620 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 c1c[nH]c2c1cc(cn2)C(=O)O TS42413 [0,0,0,0,0,1|1,0,1]=3 31 B13R2.430 c1c[nH]c2c1cnc(c2)C(=O)O TS88959 [0,0,0,0,0,1|2,0,0]=3 32 B13R2.430 c1c[nH]c2c1cnc(n2)C(=O)O TS87884 [0,0,0,0,0,1|1,0,1]=3 33 B13R2.430 c1c[nH]c2c1ncc(c2)C(=O)O TS87044 [0,0,0,0,0,1|2,0,0]=3 34 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O TS42280 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.430 c1cc(cc2c1cco2)C(=O)O TS11495 [0,0,0,0,0,1|1,1,0]=3 36 B13R2.430 c1cc(nc2c1[nH]cc2)C(=O)O TS42420 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.430 c1cc(nc2c1cc[nH]2)C(=O)O TS42412 [0,0,0,0,0,1|1,0,1]=3 38 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 TS94297 [0,0,0,0,0,1|3,0,0]=4 39 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 TS71478 [0,0,0,0,0,1|3,0,0]=4 40 B13R2.430 c1cc2c(cc1C(=O)O)ncs2 TS01369 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.430 c1cc2c(cc1C(=O)O)nns2 TS47879 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.430 c1cc2c(cc1C(=O)O)scn2 TS00364 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS01496 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O TS94745 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.430 c1cc2c(cco2)cc1C(=O)Cl TS47996 [0,0,0,0,0,1|2,1,0]=4 46 B13R2.430 c1cc2c(cco2)cc1C(=O)O TS01364 [0,0,0,0,0,1|1,1,0]=3 47 B13R2.430 c1cc2c(ccs2)cc1C(=O)Cl TS18375 [0,0,0,0,0,1|2,0,0]=3 48 B13R2.430 c1cc2c(ccs2)cc1C(=O)O TS00404 [0,0,0,0,0,1|1,0,0]=2 49 B13R2.430 c1cc2c(ccs2)cc1[N+](=O)[O-] TS09149 [0,0,0,0,0,1|2,0,1]=4 50 B13R2.430 c1cc2ccc(cn2c1)C(=O)O TS11387 [0,0,0,0,0,1|3,0,0]=4 51 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O TS00447 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.430 c1cc2nccn2cc1C(=O)O TS85599 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.430 c1cnn2c1ncc(c2)C(=O)O TS86345 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.430 c1csc2c1ncc(c2)C(=O)O TS89385 [0,0,0,0,0,1|1,0,0]=2 55 B13R2.435 B(c1cc2ccccc2[nH]1)(O)O TS11347 [0,0,0,0,0,1|2,0,1]=4 56 B13R2.435 CC(=O)c1[nH]c2ccccc2n1 TS11248 [0,0,0,0,0,1|3,0,0]=4 57 B13R2.435 CC(=O)c1cc2ccccc2o1 TS42132 [0,0,0,0,0,1|3,0,0]=4 58 B13R2.435 CC(=O)c1cc2ccccc2s1 TS08257 [0,0,0,0,0,1|3,0,0]=4 59 B13R2.435 c1c2c(cncn2)[nH]c1C(=O)O TS91334 [0,0,0,0,0,1|2,0,0]=3 60 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 TS11510 [0,0,0,0,0,1|1,0,0]=2 61 B13R2.435 c1cc2c(cc(s2)C(=O)O)nc1 TS85751 [0,0,0,0,0,1|2,0,0]=3 62 B13R2.435 c1cc2cc([nH]c2nc1)C(=O)O TS90332 [0,0,0,0,0,1|1,0,0]=2 63 B13R2.435 c1cc2cc(nn2nc1)C(=O)O TS88304 [0,0,0,0,0,1|2,0,1]=4 64 B13R2.435 c1cc2cc(sc2nc1)C(=O)O TS47704 [0,0,0,0,0,1|2,0,0]=3 65 B13R2.435 c1cc2nc(cn2nc1)C(=O)O TS90752 [0,0,0,0,0,1|2,0,1]=4 66 B13R2.435 c1ccc2c(c1)CC(N2)C(=O)O TS46628 [0,0,0,0,0,1|1,0,2]=4 67 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)Cl TS60211 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(=O)O TS11516 [0,0,0,0,0,1|2,0,0]=3 69 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)N TS39227 [0,0,0,0,0,1|2,0,0]=3 70 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O TS01488 [0,0,0,0,0,1|1,0,0]=2 71 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=S)N TS13891 [0,0,0,0,0,1|2,1,0]=4 72 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)Cl TS47998 [0,0,0,0,0,1|3,0,0]=4 73 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O TS55759 [0,0,0,0,0,1|2,0,0]=3 74 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl TS18374 [0,0,0,0,0,1|3,0,0]=4 75 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N TS32812 [0,0,0,0,0,1|3,0,0]=4 76 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O TS55753 [0,0,0,0,0,1|2,0,0]=3 77 B13R2.435 c1ccc2c(c1)nc(o2)C(=O)O TS42537 [0,0,0,0,0,1|2,0,1]=4 78 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O TS47709 [0,0,0,0,0,1|2,0,1]=4 79 B13R2.435 c1ccn2c(c1)cc(n2)C(=O)O TS02068 [0,0,0,0,0,1|2,0,1]=4 80 B13R2.435 c1ccn2cc(nc2c1)C(=O)O TS56186 [0,0,0,0,0,1|2,0,1]=4 81 B13R2.435 c1cnc2c(n1)cc(s2)C(=O)O TS47877 [0,0,0,0,0,1|2,0,0]=3 82 B13R2.435 c1cnc2cc(nn2c1)C(=O)O TS11659 [0,0,0,0,0,1|2,0,1]=4 83 B13R2.435 c1cnc2nc(cn2c1)C(=O)O TS42540 [0,0,0,0,0,1|2,0,1]=4 84 B13R2.435 c1cncc2c1[nH]c(c2)C(=O)O TS42407 [0,0,0,0,0,1|1,0,0]=2 85 B13R2.435 c1cncc2c1cc([nH]2)C(=O)O TS42417 [0,0,0,0,0,1|1,0,0]=2 86 B10R1.66 CC(=O)C=Cc1cccs1 TS41166 [1,0,1,0,0,0|2,0,0]=4 87 B10R1.66 c1c(nc[nH]1)C=CC(=O)O TS71177 [1,0,1,0,0,0|2,0,0]=4 88 B10R1.66 c1cc(oc1)C=CC(=O)O TS06232 [1,0,1,0,0,0|1,1,0]=4 89 B10R1.66 c1cc(oc1)C=CC(=O)O TS94913 [1,0,1,0,0,0|1,1,0]=4 90 B10R1.66 c1cc(sc1)C=CC(=O)Cl TS45576 [1,0,1,0,0,0|2,0,0]=4 91 B10R1.66 c1cc(sc1)C=CC(=O)O TS41387 [1,0,1,0,0,0|1,0,0]=3 92 B10R1.66 c1cc(sc1)CCC(=O)O TS41627 [1,0,1,0,0,0|1,0,1]=4 93 B10R1.66 c1cocc1C=CC(=O)O TS06234 [1,0,1,0,0,0|0,1,0]=3 94 B10R1.66 c1cscc1C=CC(=O)Cl TS45575 [1,0,1,0,0,0|1,0,0]=3 95 B10R1.66 c1cscc1C=CC(=O)O TS41388 [1,0,1,0,0,0|0,0,0]=2 96 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [1,0,1,0,0,0|1,0,1]=4 97 B10R1.31 c1c(c[nH]c1C(=O)O)C=O TS06351 [1,0,1,0,0,0|0,1,0]=3 98 B10R1.31 c1cc([nH]c1C=O)C(=O)O TS06350 [1,0,1,0,0,0|1,0,0]=3 99 B10R1.31 c1cc(oc1C=O)C(=O)O TS39776 [1,0,1,0,0,0|2,0,0]=4 100 B10R1.31 c1cc(sc1C=O)C(=O)O TS71557 [1,0,1,0,0,0|2,0,0]=4 101 B10R2.2 c1csc2c1NC(=O)C2 TS60409 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.298 c1cc(sc1)C=C(C#N)C(=O)O TS47708 [0,1,1,0,0,0|1,0,1]=4 103 B12R1.359 CCC(=O)c1cc([nH]c1)C(=O)O TS43194 [0,1,1,0,0,0|1,0,1]=4 104 B14R2.601 c1c2cc([nH]c2ncc1C(=O)O)Br TS57495 [0,1,0,0,0,1|1,0,1]=4 105 B14R2.601 c1cc2c(cc1C(=O)O)sc(n2)Br TS55138 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.601 c1cc2c(cc1C(=O)O)sc(n2)N TS01769 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.624 c1c[nH]c2c1cc(c(n2)C(=O)O)Br TS90927 [0,1,0,0,0,1|1,0,1]=4 108 B14R2.966 COC(=O)c1cc2c(cc[nH]2)cn1 TS90565 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.966 COC(=O)c1cc2c(cc[nH]2)nc1 TS88552 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.966 COC(=O)c1cc2cc[nH]c2cn1 TS13813 [0,1,0,0,0,1|1,0,1]=4 111 B14R2.966 COC(=O)c1cc2cc[nH]c2nc1 TS46081 [0,1,0,0,0,1|1,0,1]=4 112 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 TS59799 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 TS61141 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 TS56321 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.966 COC(=O)c1ccc2cc[nH]c2n1 TS87181 [0,1,0,0,0,1|1,0,1]=4 116 B14R2.966 COC(=O)c1ncc2cc[nH]c2n1 TS90790 [0,1,0,0,0,1|1,0,1]=4 117 B14R2.966 c1cc2c(ccs2)cc1C(=O)CBr TS28741 [0,1,0,0,0,1|2,0,0]=4 118 B14R2.5719 Cc1c[nH]c2c1ccc(n2)C(=O)O TS92073 [0,1,0,0,0,1|1,0,1]=4 119 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)O TS00474 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.5719 Cn1ccc2c1ncc(c2)C(=O)O TS89315 [0,1,0,0,0,1|1,0,1]=4 121 B14R2.5998 c1c[nH]c2c1c(c(cn2)C(=O)O)Cl TS89304 [0,1,0,0,0,1|1,0,1]=4 122 B14R2.5998 c1csc2c1c(c(cn2)C(=O)O)O TS03139 [0,1,0,0,0,1|0,0,1]=3 123 B14R2.5998 c1csc2c1ncc(c2Cl)C(=O)O TS88070 [0,1,0,0,0,1|1,0,0]=3 124 B14R2.5998 c1csc2c1ncc(c2O)C(=O)O TS18046 [0,1,0,0,0,1|1,0,0]=3 125 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)Br TS88203 [0,1,0,0,0,1|2,0,0]=4 126 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)I TS54988 [0,1,0,0,0,1|2,0,0]=4 127 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)N TS46086 [0,1,0,0,0,1|2,0,0]=4 128 B14R2.8824 c1c[nH]c2c1c(cc(c2)C(=O)O)O TS13976 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.24358 Cc1c[nH]c2c1cc(cn2)C(=O)O TS88387 [0,1,0,0,0,1|1,0,1]=4 130 B14R2.24358 c1c(cnc2c1c(c[nH]2)Br)C(=O)O TS88711 [0,1,0,0,0,1|1,0,1]=4 131 B14R2.24358 c1c(cnc2c1c(c[nH]2)I)C(=O)O TS89638 [0,1,0,0,0,1|1,0,1]=4 132 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)O TS13486 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.450 Cc1c2ccccc2[nH]c1C(=O)O TS13673 [0,1,0,0,0,1|1,0,0]=3 134 B14R2.450 Cc1c2ccccc2oc1C(=O)O TS02842 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.450 Cc1c2ccccc2sc1C(=O)O TS17490 [0,1,0,0,0,1|2,0,0]=4 136 B14R2.450 Cn1c(cc2c1ncnc2)C(=O)O TS92536 [0,1,0,0,0,1|1,0,0]=3 137 B14R2.450 Cn1c2ccccc2cc1C(=O)N TS45789 [0,1,0,0,0,1|2,0,0]=4 138 B14R2.450 Cn1c2ccccc2cc1C(=O)O TS00473 [0,1,0,0,0,1|1,0,0]=3 139 B14R2.450 Cn1c2ccccc2nc1C(=O)O TS08696 [0,1,0,0,0,1|2,0,0]=4 140 B14R2.450 c1cc2c(c(sc2nc1)C(=O)O)N TS51801 [0,1,0,0,0,1|2,0,0]=4 141 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)I TS54989 [0,1,0,0,0,1|1,0,0]=3 142 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)O TS46246 [0,1,0,0,0,1|1,0,0]=3 143 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Br TS67960 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl TS02714 [0,1,0,0,0,1|2,0,0]=4 145 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)N TS51650 [0,1,0,0,0,1|2,0,0]=4 146 B14R2.972 COC(=O)c1[nH]c2ccccc2n1 TS13829 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.972 COC(=O)c1cc2c([nH]1)cccn2 TS89273 [0,1,0,0,0,1|1,0,0]=3 148 B14R2.972 COC(=O)c1cc2ccccc2[nH]1 TS45932 [0,1,0,0,0,1|1,0,0]=3 149 B14R2.972 COC(=O)c1cc2ccccc2s1 TS17487 [0,1,0,0,0,1|2,0,0]=4 150 B14R2.972 COC(=O)c1cc2cccnc2[nH]1 TS89595 [0,1,0,0,0,1|1,0,0]=3 151 B14R2.972 COC(=O)c1cc2cncnc2[nH]1 TS90161 [0,1,0,0,0,1|1,0,0]=3 152 B14R2.972 c1ccc2c(c1)cc([nH]2)C(=O)NN TS45951 [0,1,0,0,0,1|2,0,0]=4 153 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O TS13662 [0,1,0,0,0,1|1,0,0]=3 154 B14R2.4529 Cc1ccc2c(c1)cc(s2)C(=O)O TS17488 [0,1,0,0,0,1|2,0,0]=4 155 B14R2.4529 c1c(cnc2c1[nH]c(c2)C(=O)O)Br TS87187 [0,1,0,0,0,1|1,0,0]=3 156 B14R2.4529 c1c(cnc2c1[nH]c(c2)C(=O)O)Cl TS86453 [0,1,0,0,0,1|1,0,0]=3 157 B14R2.4529 c1c2cc([nH]c2ncc1Cl)C(=O)O TS86298 [0,1,0,0,0,1|1,0,0]=3 158 B14R2.4529 c1c2cc([nH]c2ncc1F)C(=O)O TS87096 [0,1,0,0,0,1|1,0,0]=3 159 B14R2.4529 c1c2cc(ncc2[nH]c1C(=O)O)Br TS26626 [0,1,0,0,0,1|1,0,0]=3 160 B14R2.4529 c1c2cc(ncc2[nH]c1C(=O)O)Cl TS53758 [0,1,0,0,0,1|1,0,0]=3 161 B14R2.4529 c1c2cc(sc2ncc1Br)C(=O)O TS89054 [0,1,0,0,0,1|2,0,0]=4 162 B14R2.4529 c1c2cnc(cc2[nH]c1C(=O)O)Cl TS89292 [0,1,0,0,0,1|1,0,0]=3 163 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br TS39537 [0,1,0,0,0,1|1,0,0]=3 164 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl TS08437 [0,1,0,0,0,1|1,0,0]=3 165 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)F TS02275 [0,1,0,0,0,1|1,0,0]=3 166 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)O TS13990 [0,1,0,0,0,1|1,0,0]=3 167 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br TS54239 [0,1,0,0,0,1|2,0,0]=4 168 B14R2.4529 c1cc(cc2c1cc(s2)C(=O)O)Br TS67956 [0,1,0,0,0,1|2,0,0]=4 169 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Br TS87909 [0,1,0,0,0,1|1,0,0]=3 170 B14R2.4529 c1cc(nc2c1[nH]c(c2)C(=O)O)Cl TS87903 [0,1,0,0,0,1|1,0,0]=3 171 B14R2.4529 c1cc(nc2c1[nH]c(n2)C(=O)O)Cl TS94357 [0,1,0,0,0,1|2,0,0]=4 172 B14R2.4529 c1cc(nc2c1cc([nH]2)C(=O)O)Br TS86860 [0,1,0,0,0,1|1,0,0]=3 173 B14R2.4529 c1cc(nc2c1cc([nH]2)C(=O)O)Cl TS90853 [0,1,0,0,0,1|1,0,0]=3 174 B14R2.4529 c1cc2c(cc1Br)cc([nH]2)C(=O)O TS16790 [0,1,0,0,0,1|1,0,0]=3 175 B14R2.4529 c1cc2c(cc1Br)cc(o2)C(=O)O TS57490 [0,1,0,0,0,1|2,0,0]=4 176 B14R2.4529 c1cc2c(cc1Br)cc(s2)C(=O)O TS67957 [0,1,0,0,0,1|2,0,0]=4 177 B14R2.4529 c1cc2c(cc1Br)nc([nH]2)C(=O)O TS57493 [0,1,0,0,0,1|2,0,0]=4 178 B14R2.4529 c1cc2c(cc1Cl)[nH]c(n2)C(=O)O TS53761 [0,1,0,0,0,1|2,0,0]=4 179 B14R2.4529 c1cc2c(cc1Cl)cc(o2)C(=O)O TS53753 [0,1,0,0,0,1|2,0,0]=4 180 B14R2.4529 c1cc2c(cc1F)[nH]c(n2)C(=O)O TS01221 [0,1,0,0,0,1|2,0,0]=4 181 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O TS03320 [0,1,0,0,0,1|1,0,0]=3 182 B14R2.4529 c1cc2c(cc1F)cc(s2)C(=O)O TS03296 [0,1,0,0,0,1|2,0,0]=4 183 B14R2.4529 c1cc2c(cc1N)cc([nH]2)C(=O)O TS46082 [0,1,0,0,0,1|1,0,0]=3 184 B14R2.4529 c1cc2c(cc1N)cc(s2)C(=O)O TS17661 [0,1,0,0,0,1|2,0,0]=4 185 B14R2.4529 c1cc2c(cc1N)nc([nH]2)C(=O)O TS44400 [0,1,0,0,0,1|2,0,0]=4 186 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O TS13993 [0,1,0,0,0,1|1,0,0]=3 187 B14R2.7969 Cc1cccc2c1[nH]c(c2)C(=O)O TS13659 [0,1,0,0,0,1|1,0,0]=3 188 B14R2.7969 Cc1cccc2c1cc([nH]2)C(=O)O TS07814 [0,1,0,0,0,1|1,0,0]=3 189 B14R2.7969 Cc1cccc2c1nc([nH]2)C(=O)O TS71224 [0,1,0,0,0,1|2,0,0]=4 190 B14R2.7969 c1c2c([nH]c1C(=O)O)ncnc2Cl TS86734 [0,1,0,0,0,1|1,0,0]=3 191 B14R2.7969 c1c2c(ncnc2Cl)sc1C(=O)O TS87931 [0,1,0,0,0,1|2,0,0]=4 192 B14R2.7969 c1cc(c2cc(sc2c1)C(=O)O)F TS18227 [0,1,0,0,0,1|2,0,0]=4 193 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Br TS70939 [0,1,0,0,0,1|1,0,0]=3 194 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)Cl TS18129 [0,1,0,0,0,1|1,0,0]=3 195 B14R2.7969 c1cc2c(cc([nH]2)C(=O)O)c(c1)F TS39507 [0,1,0,0,0,1|1,0,0]=3 196 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Br TS67958 [0,1,0,0,0,1|2,0,0]=4 197 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl TS44268 [0,1,0,0,0,1|2,0,0]=4 198 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)I TS74909 [0,1,0,0,0,1|2,0,0]=4 199 B14R2.7969 c1cc2cc([nH]c2c(c1)Br)C(=O)O TS55656 [0,1,0,0,0,1|1,0,0]=3 200 B14R2.7969 c1cc2cc([nH]c2c(c1)N)C(=O)O TS13805 [0,1,0,0,0,1|1,0,0]=3 201 B14R2.7969 c1cc2cc([nH]c2c(c1)O)C(=O)O TS13988 [0,1,0,0,0,1|1,0,0]=3 202 B14R2.7969 c1cc2cc(sc2c(c1)Br)C(=O)O TS90079 [0,1,0,0,0,1|2,0,0]=4 203 B14R2.7969 c1cnc2c(c1Br)cc([nH]2)C(=O)O TS90153 [0,1,0,0,0,1|1,0,0]=3 204 B14R2.7969 c1cnc2c(c1Cl)cc([nH]2)C(=O)O TS89394 [0,1,0,0,0,1|1,0,0]=3 205 B14R2.7969 c1cnc2cc(sc2c1Cl)C(=O)O TS86776 [0,1,0,0,0,1|2,0,0]=4 206 B14R2.839 CCOC(=O)c1cc2c([nH]1)ccs2 TS16557 [0,2,0,0,0,0|2,0,0]=4 207 B14R2.839 CCOC(=O)c1cn2ccsc2n1 TS56151 [0,2,0,0,0,0|1,0,1]=4 208 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [0,0,1,1,0,0|2,0,0]=4 209 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,0,1,0,1,0|1,1,0]=4 210 B10R1.23 c1cc(sc1)C(=O)C(=O)O TS10665 [0,0,1,0,1,0|1,0,0]=3 211 B10R1.23 c1cc(sc1)C(C(=O)O)N TS41779 [0,0,1,0,1,0|1,0,1]=4 212 B10R1.23 c1cc(sc1)[C@@H](C(=O)O)N TS41781 [0,0,1,0,1,0|1,0,1]=4 213 B10R1.23 c1cc(sc1)[C@H](C(=O)O)N TS08075 [0,0,1,0,1,0|1,0,1]=4 214 B10R1.23 c1cocc1C(=O)C(=O)O TS06407 [0,0,1,0,1,0|1,1,0]=4 215 B10R1.23 c1cscc1C(C(=O)O)N TS16452 [0,0,1,0,1,0|0,0,1]=3 216 B10R1.23 c1cscc1[C@@H](C(=O)O)N TS41778 [0,0,1,0,1,0|0,0,1]=3 217 B10R1.23 c1cscc1[C@H](C(=O)O)N TS41780 [0,0,1,0,1,0|0,0,1]=3 218 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS59943 [0,0,1,0,0,1|2,0,0]=4 219 B12R1.43 C=C(Cc1ccccc1)C(=O)O TS93908 [0,0,1,0,0,1|2,0,0]=4 220 B12R1.43 CC(=Cc1ccccc1)C(=O)O TS42456 [0,0,1,0,0,1|2,0,0]=4 221 B12R1.43 c1ccc(cc1)C=C(C(=O)O)F TS43016 [0,0,1,0,0,1|2,0,0]=4 222 B12R1.260 c1cscc1C[C@@H](CC(=O)O)N TS50025 [0,0,1,0,0,1|0,0,2]=4 223 B12R1.260 c1cscc1C[C@H](CC(=O)O)N TS50024 [0,0,1,0,0,1|0,0,2]=4 224 B12R1.125 Cc1ccccc1C=CC(=O)O TS42443 [0,0,1,0,0,1|2,0,0]=4 225 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl TS48349 [0,0,1,0,0,1|2,0,0]=4 226 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F TS01025 [0,0,1,0,0,1|2,0,0]=4 227 B12R1.125 c1ccc(c(c1)C=CC(=O)O)O TS42702 [0,0,1,0,0,1|2,0,0]=4 228 B12R1.226 Cc1cccc(c1)C=CC(=O)O TS11541 [0,0,1,0,0,1|2,0,0]=4 229 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O TS24314 [0,0,1,0,0,1|2,0,0]=4 230 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O TS15066 [0,0,1,0,0,1|2,0,0]=4 231 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O TS65085 [0,0,1,0,0,1|2,0,0]=4 232 B12R1.226 c1cc(cc(c1)O)C=CC(=O)O TS42701 [0,0,1,0,0,1|2,0,0]=4 233 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 TS46961 [1,0,0,0,0,1|1,0,0]=3 234 B12R2.32 c1cc2cc([nH]c2nc1)C=O TS07190 [1,0,0,0,0,1|1,0,0]=3 235 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O TS46946 [1,0,0,0,0,1|2,0,0]=4 236 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O TS59905 [1,0,0,0,0,1|1,0,0]=3 237 B12R2.32 c1ccc2c(c1)cc(o2)C=O TS55751 [1,0,0,0,0,1|2,0,0]=4 238 B12R2.32 c1ccc2c(c1)cc(s2)C=O TS09022 [1,0,0,0,0,1|2,0,0]=4 239 B12R2.32 c1cncc2c1[nH]c(c2)C=O TS07191 [1,0,0,0,0,1|1,0,0]=3 240 B12R2.32 c1cncc2c1cc([nH]2)C=O TS40400 [1,0,0,0,0,1|1,0,0]=3 241 B12R2.44 c1c[nH]c2c1cc(cn2)C=O TS07197 [1,0,0,0,0,1|1,0,1]=4 242 B12R2.44 c1cc(cc2c1cc[nH]2)C=O TS77184 [1,0,0,0,0,1|2,0,0]=4 243 B12R2.44 c1cc2c(cc[nH]2)cc1C=O TS01495 [1,0,0,0,0,1|2,0,0]=4 244 B12R2.44 c1cc2c(cco2)cc1C=O TS00400 [1,0,0,0,0,1|1,1,0]=4 245 B12R2.44 c1cc2c(ccs2)cc1C=O TS42474 [1,0,0,0,0,1|1,0,0]=3 246 B12R2.44 c1cc2c(ccs2)cc1CO TS11912 [1,0,0,0,0,1|1,0,1]=4 247 B14R2.781 c1cc(nc2c1cncc2)C(=O)O TS13452 [0,0,0,0,0,2|1,0,1]=4 248 B14R2.781 c1cc2c(cc1C(=O)O)cncn2 TS90057 [0,0,0,0,0,2|2,0,0]=4 249 B14R2.781 c1cc2c(ccc(n2)C(=O)O)nc1 TS90709 [0,0,0,0,0,2|1,0,1]=4 250 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O TS01306 [0,0,0,0,0,2|2,0,0]=4 251 B14R2.781 c1cc2ccc(nc2nc1)C(=O)O TS13453 [0,0,0,0,0,2|1,0,1]=4 252 B14R2.781 c1cc2cnccc2cc1C(=O)O TS90859 [0,0,0,0,0,2|2,0,0]=4 253 B14R2.781 c1cc2cncnc2cc1C(=O)O TS90966 [0,0,0,0,0,2|2,0,0]=4 254 B14R2.781 c1ccc2c(c1)C=C(CO2)C(=O)O TS46062 [0,0,0,0,0,2|2,0,0]=4 255 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O TS13307 [0,0,0,0,0,2|1,0,1]=4 256 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O TS13306 [0,0,0,0,0,2|1,0,1]=4 257 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O TS65648 [0,0,0,0,0,2|1,0,1]=4 258 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O TS45446 [0,0,0,0,0,2|2,0,0]=4 259 B14R2.781 c1cncc2c1cc(nc2)C(=O)O TS88695 [0,0,0,0,0,2|1,0,1]=4 260 B14R2.768 c1ccc2c(c1)[nH]c(n2)CC(=O)O TS46490 [0,0,0,0,0,2|2,0,0]=4 261 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)N TS74507 [0,0,0,0,0,2|2,0,0]=4 262 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O TS01487 [0,0,0,0,0,2|1,0,0]=3