0 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [1,0,0,0,0,0|0,0,1]=2 13 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [1,0,0,0,0,0|0,0,0]=1 21 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [1,0,0,0,0,0|0,0,2]=3 23 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [1,0,0,0,0,0|0,0,0]=1 35 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [1,0,0,0,0,0|0,0,1]=2 40 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [1,0,0,0,0,0|0,0,1]=2 41 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [1,0,0,0,0,0|0,0,0]=1 56 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.5 COc1ccc(cc1)C(=O)OC CHEBI:86903 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.16 CCOC(=O)c1ccc(cc1)N CHEBI:116735 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.16 CCOC(=O)c1ccc(cc1)O CHEBI:31575 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.16 CNCC(c1ccc(cc1)O)O CHEBI:29081 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O CHEBI:119 [0,1,0,0,0,0|1,0,2]=4 67 B12R1.16 CNC[C@H](c1ccc(cc1)O)O CHEBI:33016 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.16 C[NH2+]CC(c1ccc(cc1)O)O CHEBI:58606 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.16 C[NH2+]C[C@@H](c1ccc(cc1)O)O CHEBI:63694 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.20 c1cc(ccc1C(=O)C(=O)O)O CHEBI:28719 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O CHEBI:58586 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.367 COC(=O)c1ccc(c(c1)O)O CHEBI:132366 [0,1,0,0,0,0|0,0,0]=1 73 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O CHEBI:51844 [0,1,0,0,0,0|2,0,0]=3 74 B12R2.612 B1(c2ccc(cc2CO1)F)O CHEBI:77942 [0,0,0,1,0,0|2,0,1]=4 75 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,0,0,0,0,1|0,0,0]=1 76 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC CHEBI:76833 [0,0,0,0,0,1|2,0,1]=4 77 B9R0.1 CC(=C)\C=C\C=C(/C)\C=C CHEBI:87600 [1,0,1,0,0,0|2,0,0]=4 78 B9R0.1 CC(=O)\C=C\C=C(/C)\C=O CHEBI:1283 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [2,0,0,0,0,0|0,0,1]=3 80 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [2,0,0,0,0,0|0,0,1]=3 81 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [2,0,0,0,0,0|0,1,0]=3 85 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [2,0,0,0,0,0|0,0,0]=2 89 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [2,0,0,0,0,0|0,0,1]=3 90 B9R1.8 CCCc1ccccc1 CHEBI:42630 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.8 CCOc1ccccc1 CHEBI:67129 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [2,0,0,0,0,0|1,0,1]=4 93 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [2,0,0,0,0,0|0,0,2]=4 94 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [2,0,0,0,0,0|0,0,0]=2 96 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [2,0,0,0,0,0|1,0,1]=4 97 B9R1.6 CC(c1ccccc1)N CHEBI:670 [2,0,0,0,0,0|1,0,1]=4 98 B9R1.6 CC(c1ccccc1)O CHEBI:669 [2,0,0,0,0,0|0,0,2]=4 99 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [2,0,0,0,0,0|1,0,1]=4 102 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [2,0,0,0,0,0|0,0,2]=4 103 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [2,0,0,0,0,0|1,0,1]=4 104 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [2,0,0,0,0,0|0,0,2]=4 105 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [2,0,0,0,0,0|1,0,0]=3 108 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [2,0,0,0,0,0|0,0,0]=2 112 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [2,0,0,0,0,0|0,0,1]=3 113 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [2,0,0,0,0,0|0,0,1]=3 114 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [2,0,0,0,0,0|1,0,1]=4 116 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [2,0,0,0,0,0|1,0,1]=4 117 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [2,0,0,0,0,0|1,0,1]=4 118 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [2,0,0,0,0,0|1,0,1]=4 121 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.1 CNCCc1ccc(cc1)O CHEBI:17458 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.1 C[NH2+]CCc1ccc(cc1)O CHEBI:58155 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.1 c1cc(ccc1C\C=N/O)O CHEBI:15667 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15665 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15666 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 c1cc(ccc1\C=C\C=O)O CHEBI:28353 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:28386 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:64555 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.83 C\C=C/c1ccc(cc1)OC CHEBI:78412 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:2716 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:35616 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [1,1,0,0,0,0|0,0,0]=2 138 B11R1.3 CC(c1ccc(cc1)OC)O CHEBI:86566 [1,1,0,0,0,0|0,0,2]=4 139 B11R1.3 CN(C)c1ccc(cc1)NO CHEBI:59991 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [1,1,0,0,0,0|0,0,0]=2 141 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [1,1,0,0,0,0|0,0,1]=3 142 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CHEBI:1911 [1,1,0,0,0,0|1,0,1]=4 143 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [1,1,0,0,0,0|0,0,0]=2 145 B11R1.3 c1cc(ccc1C(=O)[O-])[N+]#N CHEBI:64443 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] CHEBI:41214 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.19 CC(C)(C)c1ccc(cc1)O CHEBI:34444 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.19 C[Si](C)(C)c1ccc(cc1)O CHEBI:39394 [1,1,0,0,0,0|1,1,0]=4 149 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CHEBI:27849 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.19 c1cc(ccc1N)S(=O)(=O)O CHEBI:27500 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.19 c1cc(ccc1N)[As](=O)(O)O CHEBI:49477 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36048 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36049 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.19 c1cc(ccc1O)S(=O)(=O)O CHEBI:32354 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] CHEBI:49823 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.21 C1=CC(=C[C@H]([C@@H]1O)O)C(=O)O CHEBI:75876 [1,1,0,0,0,0|0,0,2]=4 157 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [1,1,0,0,0,0|0,0,0]=2 158 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [1,1,0,0,0,0|0,0,0]=2 160 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [1,1,0,0,0,0|0,0,0]=2 165 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [1,1,0,0,0,0|0,0,1]=3 167 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [1,1,0,0,0,0|0,0,1]=3 168 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CHEBI:16318 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.166 Cc1cc(ccc1C(=O)C)O CHEBI:87314 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O CHEBI:38683 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.166 c1cc(nc(c1C(=O)[O-])O)O CHEBI:58780 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [1,1,0,0,0,0|0,0,1]=3 182 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [1,1,0,0,0,0|0,0,0]=2 183 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.36 c1ccc(cc1)C(=O)C(=O)[O-] CHEBI:36656 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [1,1,0,0,0,0|0,0,0]=2 192 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl CHEBI:38214 [0,1,0,0,0,1|2,0,0]=4 195 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O CHEBI:15999 [0,1,0,0,0,1|2,0,0]=4 196 B13R1.133 c1cc(ccc1CC(=O)C(=O)[O-])O CHEBI:36242 [0,1,0,0,0,1|2,0,0]=4 197 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)Cl CHEBI:83466 [0,1,0,0,0,1|2,0,0]=4 198 B13R1.2879 Cc1ccc(cc1C)OC(=O)NC CHEBI:35048 [0,1,0,0,0,1|2,0,0]=4 199 B13R1.522 CN(C)S(=O)(=O)c1ccc(cc1)O CHEBI:38678 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.17 CCCOC(=O)c1ccc(cc1)O CHEBI:32063 [0,2,0,0,0,0|0,0,0]=2 201 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O CHEBI:132364 [0,2,0,0,0,0|0,0,0]=2 202 B13R1.49 COc1cc(ccc1O)C(=O)OC CHEBI:46477 [0,2,0,0,0,0|0,0,0]=2 203 B11R2.36 c1cc2c(cc1O)CCC2 CHEBI:59311 [1,0,0,1,0,0|1,0,1]=4 204 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [1,0,0,1,0,0|1,0,1]=4 205 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [1,0,0,1,0,0|2,0,0]=4 206 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [1,0,0,1,0,0|2,0,0]=4 207 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [1,0,0,1,0,0|1,0,0]=3 208 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [1,0,0,1,0,0|1,0,0]=3 209 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [1,0,0,1,0,0|0,0,0]=2 210 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [1,0,0,1,0,0|2,0,0]=4 211 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O CHEBI:48996 [0,0,0,1,0,1|1,0,1]=4 212 B13R2.5180 Cc1c(c2c(cn1)C(=O)OC2)O CHEBI:2124 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [1,0,0,0,1,0|2,0,0]=4 214 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [1,0,0,0,1,0|1,0,0]=3 215 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [1,0,0,0,1,0|1,0,1]=4 216 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [1,0,0,0,1,0|1,0,0]=3