0 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,0,0,0,0,0|0,0,2]=2 2 B9R1.6 C1CNCC(=C1)C(=O)O CHEBI:5576 [0,0,0,0,0,0|1,0,3]=4 3 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 c1cc(cnc1)C(=O)N CHEBI:17154 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 c1cc(cnc1)C(=O)O CHEBI:15940 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [0,0,0,0,0,0|1,0,1]=2 18 B9R1.6 c1ccc(cc1)C(=N)N CHEBI:41033 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 c1ccc(cc1)C(=O)N CHEBI:28179 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 c1ccc(cc1)C(=O)O CHEBI:30746 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,0,0,0,0,0|0,0,1]=1 22 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,0,0,0,0,0|0,0,1]=1 23 B9R1.6 c1ccc(cc1)S(=N)N CHEBI:37828 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 c1ccc(cc1)S(=O)O CHEBI:32404 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,0,0,0,0,0|1,0,1]=2 26 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,0,0,0,0,0|1,0,1]=2 27 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,0,0,0,0,0|1,0,1]=2 28 B9R1.6 c1ccnc(c1)C(=O)N CHEBI:8200 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 c1ccnc(c1)C(=O)O CHEBI:28747 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [0,0,0,0,0,0|1,0,1]=2 31 B9R1.6 c1cnc(cn1)C(=O)N CHEBI:45285 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 c1cnc(cn1)C(=O)O CHEBI:71311 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.6 c1cnccc1C(=O)N CHEBI:6031 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 c1cnccc1C(=O)O CHEBI:6032 [0,0,0,0,0,0|1,0,0]=1 36 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 CCc1ccccc1 CHEBI:16101 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 CNc1ccccc1 CHEBI:15733 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 COc1ccccc1 CHEBI:16579 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [1,0,0,0,0,0|0,0,0]=1 46 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [1,0,0,0,0,0|0,0,1]=2 50 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 c1ccnc(c1)C#N CHEBI:27837 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.13 C1CC(=O)NC=C1C(=O)O CHEBI:16453 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,1,0,0,0,0|0,0,1]=2 72 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,1,0,0,0,0|0,0,0]=1 81 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,1,0,0,0,0|0,0,1]=2 82 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,1,0,0,0,0|0,0,1]=2 83 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,1,0,0,0,0|0,0,1]=2 84 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,1,0,0,0,0|0,0,1]=2 85 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,1,0,0,0,0|0,0,1]=2 86 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,1,0,0,0,0|0,0,1]=2 87 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,1,0,0,0,0|0,0,0]=1 104 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [0,1,0,0,0,0|1,0,1]=3 114 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] CHEBI:64457 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,1,0,0,0,0|0,0,1]=2 128 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,1,0,0,0,0|0,0,0]=1 134 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,1,0,0,0,0|0,0,0]=1 135 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,1,0,0,0,0|0,0,0]=1 136 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,1,0,0,0,0|0,0,0]=1 137 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,1,0,0,0,0|0,0,0]=1 138 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,1,0,0,0,0|0,0,1]=2 140 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,1,0,0,0,0|0,0,1]=2 141 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,1,0,0,0,0|0,0,1]=2 142 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,1,0,0,0,0|0,0,1]=2 143 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,1,0,0,0,0|0,0,1]=2 144 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,1,0,0,0,0|0,0,1]=2 145 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [0,1,0,0,0,0|0,2,0]=3 146 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])[O-] CHEBI:57703 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,1,0,0,0,0|0,0,1]=2 155 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,1,0,0,0,0|0,0,0]=1 158 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,1,0,0,0,0|0,0,1]=2 159 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,1,0,0,0,0|0,0,0]=1 160 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,1,0,0,0,0|0,0,1]=2 161 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] CHEBI:67123 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,1,0,0,0,0|0,0,0]=1 164 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,1,0,0,0,0|0,0,1]=2 165 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,1,0,0,0,0|0,0,1]=2 167 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CHEBI:34346 [0,1,0,0,0,0|1,0,1]=3 168 B10R1.113 c1cc(cc(c1)[As](O)O)N CHEBI:50023 [0,1,0,0,0,0|1,0,1]=3 169 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [0,0,1,0,0,0|0,0,0]=1 170 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [0,0,1,0,0,0|0,0,0]=1 171 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [0,0,1,0,0,0|0,0,0]=1 172 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,0,1,0,0,0|1,0,1]=3 173 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,0,1,0,0,0|1,0,2]=4 174 B8R0.8 C\C=C/CC(=O)C(=O)O CHEBI:38352 [0,0,1,0,0,0|1,0,2]=4 175 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:28998 [0,0,1,0,0,0|1,0,2]=4 176 B8R0.8 C\C=C\CC(=O)C(=O)O CHEBI:38353 [0,0,1,0,0,0|1,0,2]=4 177 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [0,0,0,1,0,0|1,0,1]=3 178 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [0,0,0,1,0,0|1,0,1]=3 179 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [0,0,0,1,0,0|1,0,1]=3 180 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [0,0,0,0,1,0|2,0,0]=3 181 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.7 c1c(scn1)C(=O)N CHEBI:132332 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.7 c1c[nH]cc1C(=O)O CHEBI:68076 [0,0,0,0,1,0|1,0,0]=2 185 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [0,0,0,0,1,0|1,0,0]=2 186 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [0,0,0,0,1,0|1,0,1]=3 187 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [0,0,0,0,1,0|1,0,0]=2 188 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [0,0,0,0,1,0|1,0,1]=3 189 B8R1.7 c1cc(oc1)[N+](=O)[O-] CHEBI:34890 [0,0,0,0,1,0|2,0,1]=4 190 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [0,0,0,0,1,0|1,0,0]=2 191 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [0,0,0,0,1,0|1,0,1]=3 192 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [0,0,0,0,1,0|1,0,0]=2 193 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [0,0,0,0,1,0|1,0,1]=3 194 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,0,0,0,0,1|2,0,0]=3 195 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,0,0,0,0,1|1,0,0]=2 196 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,0,0,0,0,1|1,0,0]=2 197 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,0,0,0,0,1|1,0,0]=2 198 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [0,0,0,0,0,1|2,0,1]=4 199 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [0,0,0,0,0,1|2,0,1]=4 201 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [0,0,0,0,0,1|2,0,1]=4 203 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [0,0,0,0,0,1|2,0,1]=4 204 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [0,0,0,0,0,1|1,0,0]=2 205 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [0,0,0,0,0,1|0,0,0]=1 208 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,0,0,0,0,1|0,0,1]=2 209 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,0,0,0,0,1|0,0,0]=1 210 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [0,0,0,0,0,1|1,1,0]=3 211 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [0,0,0,0,0,1|1,0,0]=2 212 B7R0.1 CC\C=C\C=C\C=C CHEBI:77504 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.1 CC\C=C\C=C\C=O CHEBI:132837 [1,0,1,0,0,0|0,0,2]=4 214 B7R0.4 C\C=C/C=C/C(=O)O CHEBI:38361 [1,0,1,0,0,0|0,0,1]=3 215 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,0,1,0,0,0|0,0,1]=3 216 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,0,1,0,0,0|0,0,1]=3 217 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,0,1,0,0,0|0,0,1]=3 218 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,0,1,0,0,0|0,0,1]=3 219 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [1,0,1,0,0,0|0,0,2]=4 220 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [1,0,1,0,0,0|0,0,2]=4 221 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [1,0,1,0,0,0|0,0,2]=4 222 B7R0.5 C=C=CC(=O)C(=O)O CHEBI:133363 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.5 C=CCC(=O)C(=O)O CHEBI:37318 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.5 C=C\C=C(/C(=O)[O-])\O CHEBI:60886 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,0,1,0,0,0|1,0,0]=3 227 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,0,1,0,0,0|1,0,0]=3 228 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:37319 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:67152 [1,0,1,0,0,0|1,0,1]=4 230 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [2,0,0,0,0,0|1,0,1]=4 231 B7R1.3 Cc1ccccc1 CHEBI:17578 [2,0,0,0,0,0|0,0,1]=3 232 B7R1.3 Cc1ccccn1 CHEBI:50415 [2,0,0,0,0,0|1,0,1]=4 233 B7R1.3 Cc1cccnc1 CHEBI:39922 [2,0,0,0,0,0|1,0,1]=4 234 B7R1.3 Cc1ccncc1 CHEBI:32547 [2,0,0,0,0,0|1,0,1]=4 235 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [2,0,0,0,0,0|1,0,0]=3 236 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [2,0,0,0,0,0|1,0,0]=3 237 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.3 c1cc(cnc1)O CHEBI:87440 [2,0,0,0,0,0|1,0,0]=3 239 B7R1.3 c1cc[n+](cc1)[O-] CHEBI:29136 [2,0,0,0,0,0|1,0,1]=4 240 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [2,0,0,0,0,0|1,0,0]=3 241 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [2,0,0,0,0,0|1,0,0]=3 242 B7R1.3 c1ccc(cc1)F CHEBI:5115 [2,0,0,0,0,0|1,0,0]=3 243 B7R1.3 c1ccc(cc1)N CHEBI:17296 [2,0,0,0,0,0|1,0,0]=3 244 B7R1.3 c1ccc(cc1)O CHEBI:15882 [2,0,0,0,0,0|0,0,0]=2 245 B7R1.3 c1ccc(cc1)S CHEBI:48498 [2,0,0,0,0,0|0,1,0]=3 246 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [2,0,0,0,0,0|1,0,0]=3 248 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [2,0,0,0,0,0|1,0,0]=3 249 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [2,0,0,0,0,0|0,0,1]=3 250 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [2,0,0,0,0,0|0,0,1]=3 251 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [2,0,0,0,0,0|0,0,1]=3 252 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [2,0,0,0,0,0|2,0,0]=4 254 B7R1.3 c1ccnc(c1)O CHEBI:16540 [2,0,0,0,0,0|1,0,0]=3 255 B7R1.3 c1ccnc(c1)S CHEBI:45223 [2,0,0,0,0,0|1,1,0]=4 256 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [2,0,0,0,0,0|1,0,0]=3 257 B7R1.3 c1cnc(nc1)O CHEBI:53577 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 c1cnccc1Br CHEBI:51576 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 c1cnccc1N CHEBI:34385 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 c1cnccc1O CHEBI:87614 [2,0,0,0,0,0|1,0,0]=3 261 B7R1.3 c1coccc1=O CHEBI:37966 [2,0,0,0,0,0|1,0,0]=3 262 B9R0.1 CC(=C)\C=C\C=C(/C)\C=C CHEBI:87600 [0,1,1,0,0,0|2,0,0]=4 263 B9R0.1 CC(=O)\C=C\C=C(/C)\C=O CHEBI:1283 [0,1,1,0,0,0|2,0,0]=4 264 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/N CHEBI:15745 [0,1,1,0,0,0|1,0,0]=3 265 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/O CHEBI:67110 [0,1,1,0,0,0|1,0,0]=3 266 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/N CHEBI:57495 [0,1,1,0,0,0|1,0,1]=4 267 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/O CHEBI:66943 [0,1,1,0,0,0|1,0,1]=4 268 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/[NH3+] CHEBI:77634 [0,1,1,0,0,0|1,0,1]=4 269 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:17236 [0,1,1,0,0,0|1,0,0]=3 270 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:71207 [0,1,1,0,0,0|1,0,0]=3 271 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:58068 [0,1,1,0,0,0|1,0,1]=4 272 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:71198 [0,1,1,0,0,0|1,0,1]=4 273 B9R0.48 C(=C/C(=O)O)/C(=C\C=O)/O CHEBI:18301 [0,1,1,0,0,0|1,0,0]=3 274 B9R0.48 C(=C/C(=O)O)/C(=O)NC=O CHEBI:59930 [0,1,1,0,0,0|2,0,0]=4 275 B9R0.48 C(=C/C(=O)[O-])/C(=C\C=O)/O CHEBI:58434 [0,1,1,0,0,0|1,0,1]=4 276 B9R0.48 C(=C\C(=O)O)/C(=C/C=O)/O CHEBI:67103 [0,1,1,0,0,0|1,0,0]=3 277 B9R0.48 C(=C\C(=O)[O-])/C(=C/C=O)/O CHEBI:66947 [0,1,1,0,0,0|1,0,1]=4 278 B9R0.55 C(=C/C(=O)O)/C=C\C(=O)O CHEBI:16508 [0,1,1,0,0,0|1,0,0]=3 279 B9R0.55 C(=C/C(=O)O)/C=C\C(=O)[O-] CHEBI:36501 [0,1,1,0,0,0|1,0,0]=3 280 B9R0.55 C(=C/C(=O)[O-])/C=C\C(=O)[O-] CHEBI:32379 [0,1,1,0,0,0|1,0,1]=4 281 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O CHEBI:27036 [0,1,1,0,0,0|1,0,0]=3 282 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O CHEBI:38407 [0,1,1,0,0,0|1,0,0]=3 283 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)[O-] CHEBI:36502 [0,1,1,0,0,0|1,0,0]=3 284 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)[O-] CHEBI:36504 [0,1,1,0,0,0|1,0,0]=3 285 B9R0.55 C(=C\C(=O)O)/C=C\C(=O)O CHEBI:27671 [0,1,1,0,0,0|1,0,0]=3 286 B9R0.55 C(=C\C(=O)[O-])/C=C/C(=O)[O-] CHEBI:27035 [0,1,1,0,0,0|1,0,1]=4 287 B9R0.55 C(=C\C(=O)[O-])/C=C/C(=O)[O-] CHEBI:36157 [0,1,1,0,0,0|1,0,1]=4 288 B9R0.55 C(=C\C(=O)[O-])/C=C\C(=O)[O-] CHEBI:27031 [0,1,1,0,0,0|1,0,1]=4 289 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,1,0,0,0,0|1,0,1]=4 291 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,1,0,0,0,0|0,0,0]=2 296 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [1,1,0,0,0,0|0,0,1]=3 297 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,1,0,0,0,0|0,0,0]=2 299 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [1,1,0,0,0,0|0,0,1]=3 300 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.2 CCc1cccc(c1)C CHEBI:77512 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.2 COc1cccc(c1)O CHEBI:52678 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [1,1,0,0,0,0|0,0,0]=2 304 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [1,1,0,0,0,0|0,0,0]=2 305 B9R1.2 c1cc(cc(c1)O)CO CHEBI:17069 [1,1,0,0,0,0|0,0,1]=3 306 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.8 c1c(cncn1)NC=O CHEBI:35877 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.8 c1cc(cnc1)\C=N\O CHEBI:86555 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,1,0,0,0,0|0,0,2]=4 312 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,1,0,0,0,0|0,0,0]=2 314 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,1,0,0,0,0|0,0,1]=3 316 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,1,0,0,0,0|1,0,1]=4 317 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,1,0,0,0,0|0,0,1]=3 318 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,1,0,0,0,0|0,1,1]=4 319 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,1,0,0,0,0|0,0,0]=2 320 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.15 CCc1ccccc1C CHEBI:34276 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 COc1ccccc1I CHEBI:16355 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.15 COc1ccccc1O CHEBI:28591 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [1,1,0,0,0,0|0,0,0]=2 325 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [1,1,0,0,0,0|0,0,0]=2 327 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [1,1,0,0,0,0|0,0,1]=3 328 B9R1.35 Cc1cc(n[nH]1)C(=O)O CHEBI:74739 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.35 Cc1cnc([nH]1)C(=O)O CHEBI:74745 [0,1,0,0,1,0|2,0,0]=4 331 B9R1.35 Cn1cc(cn1)C(=O)O CHEBI:74741 [0,1,0,0,1,0|2,0,0]=4 332 B9R1.35 Cn1ccc(n1)C(=O)O CHEBI:74738 [0,1,0,0,1,0|2,0,0]=4 333 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,1,0,0,1,0|1,0,0]=3 334 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,1,0,0,1,0|1,0,1]=4 335 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,1,0,0,1,0|1,0,0]=3 336 B9R1.41 CC(=O)c1cccn1C CHEBI:59982 [0,1,0,0,1,0|2,0,0]=4 337 B9R1.41 Cc1c(c[nH]n1)C(=O)O CHEBI:74742 [0,1,0,0,1,0|2,0,0]=4 338 B9R1.41 Cc1c(nc[nH]1)C(=O)O CHEBI:74747 [0,1,0,0,1,0|2,0,0]=4 339 B9R1.41 Cc1c[nH]nc1C(=O)O CHEBI:74740 [0,1,0,0,1,0|2,0,0]=4 340 B9R1.41 Cn1c(ccn1)C(=O)O CHEBI:74737 [0,1,0,0,1,0|2,0,0]=4 341 B9R1.41 Cn1ccnc1C(=O)O CHEBI:74743 [0,1,0,0,1,0|2,0,0]=4 342 B9R1.41 c1[nH]c(c(n1)C(=O)O)N CHEBI:28280 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,1|0,0,0]=2 348 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,1|0,0,0]=2 349 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,1|0,0,1]=3 350 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,1|0,0,1]=3 351 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,1|1,1,0]=4 352 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,1|1,0,1]=4 354 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,1|0,0,0]=2 355 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,1|0,0,0]=2 356 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,1|0,0,0]=2 357 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,1,0,0,0,1|0,0,0]=2 358 B11R1.36 c1ccc(cc1)C(=O)C(=O)[O-] CHEBI:36656 [0,1,0,0,0,1|0,0,1]=3 359 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,1|0,0,0]=2 360 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,1|0,0,0]=2 361 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,1|0,0,1]=3 362 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,1|0,0,0]=2 363 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,1|0,0,0]=2 364 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,1|0,0,1]=3 365 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,1|0,0,0]=2 367 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,1|0,0,0]=2 368 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,1|0,0,1]=3 369 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,1|0,0,1]=3 370 B11R1.40 c1ccc(cc1)C\C(=N\O)\S CHEBI:17520 [0,1,0,0,0,1|0,1,0]=3 371 B11R1.40 c1ccc(cc1)C\C(=N\O)\[S-] CHEBI:58176 [0,1,0,0,0,1|0,1,0]=3 372 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,1,0,0,0,1|0,0,0]=2 373 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,1,0,0,0,1|0,0,1]=3 374 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.157 CC(=O)Oc1cccc(c1)O CHEBI:29672 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [0,1,0,0,0,1|0,0,0]=2 377 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [0,1,0,0,0,1|0,0,0]=2 378 B11R1.157 c1cc(cc(c1)O)CC(=O)[O-] CHEBI:58149 [0,1,0,0,0,1|0,0,1]=3 379 B11R1.509 CS(=Nc1ccccc1)(=O)C CHEBI:47831 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.509 c1cc(cnc1)OS(=O)(=O)O CHEBI:133559 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.509 c1ccc(cc1)CS(=O)(=O)F CHEBI:8102 [0,1,0,0,0,1|1,0,1]=4 382 B11R1.509 c1ccc(cc1)NS(=O)(=O)O CHEBI:61691 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.509 c1ccc(cc1)NS(=O)(=O)[O-] CHEBI:3024 [0,1,0,0,0,1|1,0,1]=4 384 B11R1.509 c1ccc(cc1)OP(=O)(O)O CHEBI:37548 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.509 c1ccc(cc1)OS(=O)(=O)O CHEBI:27905 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.509 c1ccc(cc1)OS(=O)(=O)[O-] CHEBI:85289 [0,1,0,0,0,1|1,0,1]=4 387 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.3 CC(c1ccc(cc1)OC)O CHEBI:86566 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [0,2,0,0,0,0|0,0,0]=2 390 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [0,2,0,0,0,0|0,0,1]=3 391 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CHEBI:1911 [0,2,0,0,0,0|1,0,1]=4 392 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [0,2,0,0,0,0|0,0,0]=2 393 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [0,2,0,0,0,0|0,0,0]=2 394 B11R1.3 c1cc(ccc1C(=O)[O-])[N+]#N CHEBI:64443 [0,2,0,0,0,0|0,0,1]=3 395 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] CHEBI:66926 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] CHEBI:62822 [0,2,0,0,0,0|1,0,1]=4 397 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] CHEBI:87406 [0,2,0,0,0,0|1,0,1]=4 398 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] CHEBI:41214 [0,2,0,0,0,0|1,0,1]=4 399 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] CHEBI:66931 [0,2,0,0,0,0|1,0,1]=4 400 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] CHEBI:64469 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N CHEBI:34435 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CHEBI:27849 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] CHEBI:27023 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.19 c1cc(ccc1N)S(=O)(=O)N CHEBI:45373 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.19 c1cc(ccc1N)S(=O)(=O)O CHEBI:27500 [0,2,0,0,0,0|1,0,0]=3 406 B11R1.19 c1cc(ccc1N)S(=O)(=O)[O-] CHEBI:20313 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.19 c1cc(ccc1N)[As](=O)(O)O CHEBI:49477 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36048 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36049 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.19 c1cc(ccc1O)S(=O)(=O)O CHEBI:32354 [0,2,0,0,0,0|1,0,0]=3 411 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] CHEBI:49823 [0,2,0,0,0,0|1,0,0]=3 412 B11R1.21 C1=CC(=C[C@H]([C@@H]1O)O)C(=O)O CHEBI:75876 [0,2,0,0,0,0|0,0,2]=4 413 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,2,0,0,0,0|0,0,0]=2 418 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,2,0,0,0,0|0,0,1]=3 419 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] CHEBI:66891 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.21 Cn1cc(ccc1=O)C(=O)N CHEBI:27410 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,2,0,0,0,0|0,0,0]=2 422 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,2,0,0,0,0|0,0,0]=2 423 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,2,0,0,0,0|0,0,0]=2 424 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,2,0,0,0,0|0,0,1]=3 425 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [0,2,0,0,0,0|0,0,1]=3 426 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [0,2,0,0,0,0|0,0,1]=3 427 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N CHEBI:67116 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CHEBI:16318 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)[O-] CHEBI:57730 [0,2,0,0,0,0|1,0,1]=4 430 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,2,0,0,0,0|0,0,0]=2 432 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,2,0,0,0,0|0,0,0]=2 433 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,2,0,0,0,0|0,0,0]=2 434 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,2,0,0,0,0|1,0,1]=4 437 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.166 Cc1cc(ccc1C(=O)C)O CHEBI:87314 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O CHEBI:38683 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,2,0,0,0,0|0,0,0]=2 444 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,2,0,0,0,0|0,0,1]=3 445 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,2,0,0,0,0|0,0,0]=2 446 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O CHEBI:17477 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.166 c1c(c(nc(=O)[nH]1)N)C(=O)O CHEBI:76793 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [0,2,0,0,0,0|0,0,1]=3 450 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,2,0,0,0,0|0,0,0]=2 451 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.166 c1cc(nc(c1C(=O)[O-])O)O CHEBI:58780 [0,2,0,0,0,0|1,0,1]=4 454 B11R1.7 CC(C)(c1ccccc1)OO CHEBI:78673 [0,2,0,0,0,0|1,0,1]=4 455 B11R1.7 CC(CO)(c1ccccc1)O CHEBI:131360 [0,2,0,0,0,0|0,0,2]=4 456 B11R1.12 c1ccc(cc1)\C(=N/O)\C#N CHEBI:38842 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [0,2,0,0,0,0|1,0,1]=4 460 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,2,0,0,0,0|0,0,0]=2 461 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,2,0,0,0,0|0,0,0]=2 464 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [0,2,0,0,0,0|0,0,0]=2 466 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [0,2,0,0,0,0|0,0,0]=2 467 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O CHEBI:1015 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)[O-] CHEBI:15942 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)O CHEBI:71049 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N CHEBI:27764 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)O CHEBI:71047 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.155 c1cc(cc(c1)S(=O)(=O)[O-])N CHEBI:19963 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.53 CNc1ccccc1C(=O)O CHEBI:16394 [0,2,0,0,0,0|0,0,0]=2 474 B11R1.53 CNc1ccccc1C(=O)[O-] CHEBI:36557 [0,2,0,0,0,0|0,0,1]=3 475 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [0,2,0,0,0,0|0,0,0]=2 476 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [0,2,0,0,0,0|0,0,1]=3 477 B11R1.53 COc1ccccc1[N+](=O)[O-] CHEBI:48722 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.53 c1ccc(c(c1)C(=O)O)I=O CHEBI:52698 [0,2,0,0,0,0|0,0,0]=2 479 B11R1.53 c1ccc(c(c1)C(=O)O)NO CHEBI:25618 [0,2,0,0,0,0|0,0,0]=2 480 B11R1.53 c1ccc(c(c1)C(=O)[O-])[N+]#N CHEBI:64432 [0,2,0,0,0,0|0,0,1]=3 481 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [0,2,0,0,0,0|0,0,0]=2 482 B11R1.53 c1ccc(c(c1)C=O)C(=O)[O-] CHEBI:58203 [0,2,0,0,0,0|0,0,1]=3 483 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] CHEBI:66927 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.53 c1ccc(c(c1)[N+]#N)[N+](=O)[O-] CHEBI:64467 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.156 Cc1cccc(c1C(=O)O)C CHEBI:64827 [0,2,0,0,0,0|0,0,0]=2 486 B11R1.156 Cc1cccc(c1C(=O)O)O CHEBI:17637 [0,2,0,0,0,0|0,0,0]=2 487 B11R1.156 Cc1cccc(c1C(=O)[O-])C CHEBI:64828 [0,2,0,0,0,0|0,0,1]=3 488 B11R1.156 Cc1cccc(c1C(=O)[O-])O CHEBI:36658 [0,2,0,0,0,0|0,0,1]=3 489 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl CHEBI:28435 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl CHEBI:48623 [0,2,0,0,0,0|0,0,0]=2 491 B11R1.156 c1cc(c(c(c1)Cl)C(=O)[O-])Cl CHEBI:48624 [0,2,0,0,0,0|0,0,1]=3 492 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O CHEBI:68465 [0,2,0,0,0,0|0,0,0]=2 493 B11R1.156 c1cc(c(c(c1)O)C(=O)[O-])O CHEBI:131450 [0,2,0,0,0,0|0,0,1]=3 494 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)O CHEBI:15953 [0,2,0,0,0,0|0,0,0]=2 495 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)[O-] CHEBI:57583 [0,2,0,0,0,0|0,0,1]=3 496 B11R1.159 C1=CC(=O)C(C(=C1)C(=O)O)N CHEBI:61149 [0,2,0,0,0,0|0,0,1]=3 497 B11R1.159 C1=CC(=O)C(C(=C1)C(=O)[O-])N CHEBI:61150 [0,2,0,0,0,0|0,0,2]=4 498 B11R1.159 C1=CC(C(C(=C1)C(=O)O)N)O CHEBI:60841 [0,2,0,0,0,0|0,0,2]=4 499 B11R1.159 C1=CC(C(C(=C1)C(=O)O)O)O CHEBI:15941 [0,2,0,0,0,0|0,0,2]=4 500 B11R1.159 C1=C[C@@H]([C@@H](C(=C1)C(=O)O)N)O CHEBI:60840 [0,2,0,0,0,0|0,0,2]=4 501 B11R1.159 C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O CHEBI:60844 [0,2,0,0,0,0|0,0,2]=4 502 B11R1.159 C1=C[C@@H]([C@H](C(=C1)C(=O)O)O)O CHEBI:48968 [0,2,0,0,0,0|0,0,2]=4 503 B11R1.159 C1=C[C@H]([C@@H](C(=C1)C(=O)O)N)O CHEBI:60843 [0,2,0,0,0,0|0,0,2]=4 504 B11R1.159 C1=C[C@H]([C@@H](C(=C1)C(=O)O)O)O CHEBI:48969 [0,2,0,0,0,0|0,0,2]=4 505 B11R1.159 C1=C[C@H]([C@H](C(=C1)C(=O)O)N)O CHEBI:60842 [0,2,0,0,0,0|0,0,2]=4 506 B11R1.159 Cc1cccc(c1C)C(=O)O CHEBI:64823 [0,2,0,0,0,0|0,0,0]=2 507 B11R1.159 Cc1cccc(c1C)C(=O)[O-] CHEBI:64824 [0,2,0,0,0,0|0,0,1]=3 508 B11R1.159 Cc1cccc(c1O)C(=O)O CHEBI:20141 [0,2,0,0,0,0|0,0,0]=2 509 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O CHEBI:15793 [0,2,0,0,0,0|0,0,0]=2 510 B11R1.159 c1cc(c(c(c1)O)N)C(=O)[O-] CHEBI:36559 [0,2,0,0,0,0|0,0,1]=3 511 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O CHEBI:18026 [0,2,0,0,0,0|0,0,0]=2 512 B11R1.159 c1cc(c(c(c1)O)O)C(=O)[O-] CHEBI:36654 [0,2,0,0,0,0|0,0,1]=3 513 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,2,0,0,0,0|0,0,0]=2 514 B11R1.167 Cc1ccc(c(c1)C(=O)[O-])C CHEBI:64826 [0,2,0,0,0,0|0,0,1]=3 515 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N CHEBI:66920 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.167 Cn1ccc(=O)c(c1)C(=O)N CHEBI:27838 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CHEBI:132298 [0,2,0,0,0,0|0,0,0]=2 518 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CHEBI:420128 [0,2,0,0,0,0|0,0,0]=2 519 B11R1.167 c1cc(c(cc1Cl)C(=O)[O-])O CHEBI:59131 [0,2,0,0,0,0|0,0,1]=3 520 B11R1.167 c1cc(c(cc1F)C(=O)O)N CHEBI:78042 [0,2,0,0,0,0|0,0,0]=2 521 B11R1.167 c1cc(c(cc1N)C(=O)O)O CHEBI:6775 [0,2,0,0,0,0|0,0,0]=2 522 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O CHEBI:20551 [0,2,0,0,0,0|0,0,1]=3 523 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F CHEBI:48642 [0,2,0,0,0,0|1,0,1]=4 524 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N CHEBI:76394 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.167 c1cc(c(cc1O)C(=O)O)O CHEBI:17189 [0,2,0,0,0,0|0,0,0]=2 526 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O CHEBI:58044 [0,2,0,0,0,0|0,0,1]=3 527 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl CHEBI:62961 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.520 C1=CC(C(C=C1)(C(=O)O)O)O CHEBI:36104 [0,2,0,0,0,0|0,0,2]=4 529 B11R1.520 C1=C[C@@H]([C@](C=C1)(C(=O)O)O)O CHEBI:37888 [0,2,0,0,0,0|0,0,2]=4 530 B11R1.520 C1=C[C@H]([C@@](C=C1)(C(=O)O)O)O CHEBI:37889 [0,2,0,0,0,0|0,0,2]=4 531 B11R1.74 Cc1cc(cc(=O)[nH]1)C(=O)C CHEBI:66524 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,2,0,0,0,0|0,0,0]=2 533 B11R1.74 Cc1cc(cc(c1)C(=O)[O-])C CHEBI:64822 [0,2,0,0,0,0|0,0,1]=3 534 B11R1.74 c1c([nH]c(=O)[nH]c1=O)C(=O)O CHEBI:16742 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.74 c1c(cc(cc1N)O)C(=O)[O-] CHEBI:71959 [0,2,0,0,0,0|0,0,1]=3 537 B11R1.74 c1c(cc(cc1O)I)[N+](=O)[O-] CHEBI:77180 [0,2,0,0,0,0|1,0,1]=4 538 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CHEBI:73179 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.266 CCc1cc(ccn1)C(=O)O CHEBI:74682 [0,2,0,0,0,0|1,0,0]=3 541 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CHEBI:48972 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.266 c1cc(cc(c1)[N+]#N)C(=O)[O-] CHEBI:64438 [0,2,0,0,0,0|0,0,1]=3 543 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])[N+]#N CHEBI:64468 [0,2,0,0,0,0|1,0,1]=4 544 B9R1.13 c1cc(sc1)CC(=O)O CHEBI:45807 [0,0,1,1,0,0|1,0,1]=4 545 B9R2.50 c1ccc2c(c1)CC2 CHEBI:87328 [1,0,0,1,0,0|1,0,1]=4 546 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [0,0,0,1,0,1|2,0,0]=4 547 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [0,0,0,1,0,1|1,0,0]=3 548 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [0,0,0,1,0,1|1,0,0]=3 549 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [0,0,0,1,0,1|1,0,0]=3 550 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [0,0,0,1,0,1|1,0,0]=3 551 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [0,0,0,1,0,1|1,0,0]=3 552 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [0,0,0,1,0,1|2,0,0]=4 553 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [0,0,0,1,0,1|2,0,0]=4 554 B11R2.10 c1ccc2c(c1)nc(s2)O CHEBI:115196 [0,0,0,1,0,1|0,1,0]=3 555 B11R2.10 c1ccc2c(c1)nc(s2)S CHEBI:34292 [0,0,0,1,0,1|0,2,0]=4 556 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,1,0,1,0,0|1,0,1]=4 557 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [0,1,0,1,0,0|2,0,0]=4 558 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,1,0,1,0,0|2,0,0]=4 559 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,1,0,1,0,0|1,0,0]=3 560 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,1,0,1,0,0|1,0,0]=3 561 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,1,0,1,0,0|1,0,0]=3 562 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,1,0,1,0,0|1,0,1]=4 563 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,1,0,1,0,0|1,0,0]=3 564 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,1,0,1,0,0|0,0,0]=2 565 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [0,1,0,1,0,0|0,1,0]=3 566 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,1,0,1,0,0|2,0,0]=4 567 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [1,0,0,0,1,0|1,0,0]=3 569 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [1,0,0,0,1,0|1,0,0]=3 570 B7R1.1 c1cc(oc1)CO CHEBI:207496 [1,0,0,0,1,0|1,0,1]=4 571 B7R1.1 c1cc(oc1)CO CHEBI:53371 [1,0,0,0,1,0|1,0,1]=4 572 B7R1.1 c1cc(sc1)C=O CHEBI:87301 [1,0,0,0,1,0|1,0,0]=3 573 B7R1.1 c1cocc1C=O CHEBI:87609 [1,0,0,0,1,0|1,0,0]=3 574 B7R1.1 c1cscc1C=O CHEBI:87611 [1,0,0,0,1,0|1,0,0]=3 575 B11R1.91 CC(=O)C#Cc1ccccc1 CHEBI:51731 [0,0,0,0,0,2|1,0,0]=3 576 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,0,0,0,0,2|1,0,0]=3 577 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,0,0,0,0,2|1,0,0]=3 578 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,0,0,0,0,2|1,0,0]=3 579 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,0,0,0,0,2|1,0,0]=3 580 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,0,0,0,0,2|1,0,0]=3 581 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [0,0,0,0,0,2|0,0,0]=2 582 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,0,0,0,0,2|0,0,0]=2 583 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,0,0,0,0,2|0,0,1]=3 584 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,0,0,0,0,2|0,0,0]=2 585 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,0,0,0,0,2|0,0,0]=2 586 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,0,0,0,0,2|0,0,1]=3 587 B11R1.91 c1ccc(cc1)\C=C/C(=O)N CHEBI:76321 [0,0,0,0,0,2|1,0,0]=3 588 B11R1.91 c1ccc(cc1)\C=C/C(=O)O CHEBI:35699 [0,0,0,0,0,2|0,0,0]=2 589 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [0,0,0,0,0,2|0,0,1]=3 590 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:23246 [0,0,0,0,0,2|1,0,0]=3 591 B11R1.91 c1ccc(cc1)\C=C\C(=O)N CHEBI:76320 [0,0,0,0,0,2|1,0,0]=3 592 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:27386 [0,0,0,0,0,2|0,0,0]=2 593 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [0,0,0,0,0,2|0,0,0]=2 594 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [0,0,0,0,0,2|0,0,1]=3 595 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [0,0,0,0,0,2|0,0,1]=3