0 B9R1.6 B(c1ccccc1)(O)O CHEBI:44923 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 C1CC=C(C=C1)C(=O)O CHEBI:49262 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.6 C=C(c1ccccc1)O CHEBI:38961 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.6 CC(=O)C1=CCCCN1 CHEBI:59534 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.6 CC(=O)c1ccccc1 CHEBI:27632 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.6 CC(C)c1ccccc1 CHEBI:34656 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.6 CC(c1ccccc1)N CHEBI:670 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.6 CC(c1ccccc1)O CHEBI:669 [0,0,0,0,0,0|0,0,2]=2 8 B9R1.6 CN(C)c1ccccc1 CHEBI:16269 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CP(C)c1ccccc1 CHEBI:30671 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 C[C@@H](c1ccccc1)N CHEBI:35321 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.6 C[C@@H](c1ccccc1)O CHEBI:16346 [0,0,0,0,0,0|0,0,2]=2 12 B9R1.6 C[C@H](c1ccccc1)N CHEBI:35322 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.6 C[C@H](c1ccccc1)O CHEBI:45616 [0,0,0,0,0,0|0,0,2]=2 14 B9R1.6 C[S+](c1ccccc1)[O-] CHEBI:134307 [0,0,0,0,0,0|1,0,1]=2 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|2,0,0]=2 17 B9R1.6 c1cc(cnc1)C(=O)[O-] CHEBI:32544 [0,0,0,0,0,0|2,0,0]=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|1,0,0]=1 21 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:113455 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 c1ccc(cc1)C(=O)[O-] CHEBI:16150 [0,0,0,0,0,0|1,0,0]=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|2,0,0]=2 25 B9R1.6 c1ccc(cc1)S(=O)[O-] CHEBI:38100 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 c1ccc(cc1)[As](O)O CHEBI:50019 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 c1ccc(cc1)[N+](=O)[O-] CHEBI:27798 [0,0,0,0,0,0|2,0,0]=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|2,0,0]=2 30 B9R1.6 c1ccnc(c1)C(=O)[O-] CHEBI:38184 [0,0,0,0,0,0|2,0,0]=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|3,0,0]=3 33 B9R1.6 c1cnc(cn1)C(=O)[O-] CHEBI:71266 [0,0,0,0,0,0|3,0,0]=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|2,0,0]=2 36 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [1,0,0,0,0,0|0,0,1]=2 37 B8R1.2 CCc1ccccc1 CHEBI:16101 [1,0,0,0,0,0|0,0,1]=2 38 B8R1.2 CCc1cnccn1 CHEBI:73232 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.2 CNc1ccccc1 CHEBI:15733 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 COC1=CC#CC=C1 CHEBI:33831 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.2 COC1=CC=CC#C1 CHEBI:33826 [1,0,0,0,0,0|1,0,2]=4 42 B8R1.2 COc1ccccc1 CHEBI:16579 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 c1cc(cnc1)C#N CHEBI:86556 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [1,0,0,0,0,0|0,0,0]=1 49 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [1,0,0,0,0,0|0,0,2]=3 53 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 c1ccnc(c1)C#N CHEBI:27837 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 B(c1ccc(cc1)F)(O)O CHEBI:48661 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.13 CC1=CC=C(CC1)C(=C)C CHEBI:89242 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.13 CN(C)c1ccc(cc1)N CHEBI:15783 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [0,1,0,0,0,0|1,0,0]=2 73 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [0,1,0,0,0,0|1,0,1]=3 76 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [0,1,0,0,0,0|1,0,0]=2 80 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.13 c1cc(ccc1N)[As](O)O CHEBI:50022 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.15 CCC(=O)c1ccccc1 CHEBI:425902 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.15 CNC(=O)c1cccnc1 CHEBI:64399 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.15 COC(=O)c1ccccc1 CHEBI:72775 [0,1,0,0,0,0|0,0,0]=1 104 B10R1.15 c1ccc(cc1)C(=O)C#N CHEBI:51853 [0,1,0,0,0,0|0,0,1]=2 105 B10R1.15 c1ccc(cc1)C(=O)CBr CHEBI:51846 [0,1,0,0,0,0|0,0,0]=1 106 B10R1.15 c1ccc(cc1)C(=O)CO CHEBI:28341 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.15 c1ccc(cc1)C(=O)NN CHEBI:38454 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [0,1,0,0,0,0|1,0,2]=4 109 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [0,1,0,0,0,0|0,0,3]=4 110 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [0,1,0,0,0,0|0,0,2]=3 111 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [0,1,0,0,0,0|0,0,2]=3 112 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [0,1,0,0,0,0|0,0,3]=4 113 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [0,1,0,0,0,0|0,0,3]=4 114 B10R1.15 c1ccc(cc1)\C(=N\O)\N CHEBI:83354 [0,1,0,0,0,0|1,0,1]=3 115 B10R1.15 c1cnccc1C(=O)NN CHEBI:6030 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.28 CC(C)(c1ccccc1)O CHEBI:131607 [0,1,0,0,0,0|0,0,2]=3 117 B10R1.28 CN(=O)(C)c1ccccc1 CHEBI:17735 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85062 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.28 C[N+](C)(C)c1ccccc1 CHEBI:85318 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.28 c1ccc(cc1)C(F)(F)F CHEBI:36810 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.28 c1ccc(cc1)S(=O)(=O)O CHEBI:64455 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] CHEBI:64457 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.28 c1ccc(cc1)[As](=O)(O)O CHEBI:29851 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.28 c1ccc(cc1)[As](=O)(O)[O-] CHEBI:64449 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.61 CC(=O)c1ccccc1N CHEBI:91110 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.61 CC(C)c1ccccc1O CHEBI:38506 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.61 Cc1c(cccn1)C(=O)N CHEBI:68440 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.61 Cc1ccccc1C(=O)O CHEBI:36632 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.61 Cc1ccccc1C(=O)O CHEBI:70862 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.61 Cc1ccccc1C(=O)[O-] CHEBI:28872 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.61 Cc1ccccc1[N+](=O)[O-] CHEBI:33098 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.61 c1cc(c(nc1)C(=O)O)O CHEBI:64342 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl CHEBI:60719 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.61 c1ccc(c(c1)C(=O)N)O CHEBI:32114 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.61 c1ccc(c(c1)C(=O)O)Cl CHEBI:30793 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.61 c1ccc(c(c1)C(=O)O)F CHEBI:19577 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.61 c1ccc(c(c1)C(=O)O)I CHEBI:287979 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.61 c1ccc(c(c1)C(=O)O)O CHEBI:16914 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.61 c1ccc(c(c1)C(=O)O)S CHEBI:59124 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.61 c1ccc(c(c1)C(=O)[O-])Cl CHEBI:28303 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.61 c1ccc(c(c1)C(=O)[O-])F CHEBI:27839 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.61 c1ccc(c(c1)C(=O)[O-])I CHEBI:59122 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.61 c1ccc(c(c1)C(=O)[O-])N CHEBI:16567 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.61 c1ccc(c(c1)C(=O)[O-])O CHEBI:30762 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.61 c1ccc(c(c1)C(=O)[O-])S CHEBI:59127 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.61 c1ccc(c(c1)C(=S)S)O CHEBI:37999 [0,1,0,0,0,0|1,1,0]=3 149 B10R1.61 c1ccc(c(c1)N)[As](O)O CHEBI:50024 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O CHEBI:16260 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])[O-] CHEBI:57703 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.61 c1cncc(c1N)C(=O)O CHEBI:68577 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.113 C[n+]1cccc(c1)C(=O)N CHEBI:16797 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.113 C[n+]1cccc(c1)C(=O)O CHEBI:50521 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] CHEBI:18123 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.113 Cc1cccc(c1)C(=O)O CHEBI:10589 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.113 Cc1cccc(c1)C(=O)[O-] CHEBI:28795 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CHEBI:39931 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.113 c1c(cncc1N)C(=O)O CHEBI:68578 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.113 c1cc(cc(c1)Cl)C(=O)O CHEBI:49410 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.113 c1cc(cc(c1)Cl)C(=O)[O-] CHEBI:19984 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.113 c1cc(cc(c1)F)C(=O)O CHEBI:20021 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] CHEBI:28665 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] CHEBI:67123 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.113 c1cc(cc(c1)N)C(=O)N CHEBI:64042 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.113 c1cc(cc(c1)N)C(=O)O CHEBI:42682 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] CHEBI:30761 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.113 c1cc(cc(c1)O)C(=O)O CHEBI:30764 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] CHEBI:16193 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CHEBI:34346 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.113 c1cc(cc(c1)[As](O)O)N CHEBI:50023 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.7 C=C\C=C\C=C/C(=O)O CHEBI:50487 [0,0,1,0,0,0|1,0,0]=2 173 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50483 [0,0,1,0,0,0|1,0,0]=2 174 B8R0.7 C=C\C=C\C=C\C(=O)O CHEBI:50484 [0,0,1,0,0,0|1,0,0]=2 175 B8R0.8 C\C=C/C=C(/C(=O)O)\O CHEBI:63735 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.8 C\C=C/C=C(/C(=O)[O-])\O CHEBI:63693 [0,0,1,0,0,0|2,0,1]=4 177 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [0,0,0,1,0,0|0,0,2]=3 178 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [0,0,0,1,0,0|0,0,2]=3 179 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [0,0,0,1,0,0|0,0,2]=3 180 B8R1.7 CC(=O)c1ccc[nH]1 CHEBI:59981 [0,0,0,0,1,0|1,0,0]=2 181 B8R1.7 CC(=O)c1ccco1 CHEBI:59983 [0,0,0,0,1,0|1,0,0]=2 182 B8R1.7 CC(=O)n1ccnc1 CHEBI:16984 [0,0,0,0,1,0|2,0,0]=3 183 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|2,0,0]=3 185 B8R1.7 c1cc([nH]c1)C(=O)O CHEBI:36751 [0,0,0,0,1,0|2,0,0]=3 186 B8R1.7 c1cc([nH]c1)C(=O)[O-] CHEBI:27660 [0,0,0,0,1,0|2,0,0]=3 187 B8R1.7 c1cc(oc1)C(=O)O CHEBI:30845 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.7 c1cc(oc1)C(=O)[O-] CHEBI:16739 [0,0,0,0,1,0|2,0,0]=3 189 B8R1.7 c1cc(oc1)[N+](=O)[O-] CHEBI:34890 [0,0,0,0,1,0|3,0,0]=4 190 B8R1.7 c1cc(sc1)C(=O)O CHEBI:71241 [0,0,0,0,1,0|2,0,0]=3 191 B8R1.7 c1cc(sc1)C(=O)[O-] CHEBI:71237 [0,0,0,0,1,0|2,0,0]=3 192 B8R1.7 c1cocc1C(=O)O CHEBI:30846 [0,0,0,0,1,0|2,0,0]=3 193 B8R1.7 c1cocc1C(=O)[O-] CHEBI:30847 [0,0,0,0,1,0|2,0,0]=3 194 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [0,0,0,0,0,1|1,0,0]=2 195 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [0,0,0,0,0,1|0,0,0]=1 196 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [0,0,0,0,0,1|0,0,0]=1 197 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [0,0,0,0,0,1|0,0,0]=1 198 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [0,0,0,0,0,1|1,0,1]=3 199 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [0,0,0,0,0,1|1,0,1]=3 200 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [0,0,0,0,0,1|1,0,1]=3 201 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [0,0,0,0,0,1|1,0,1]=3 202 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [0,0,0,0,0,1|1,0,1]=3 203 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [0,0,0,0,0,1|1,0,1]=3 204 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|2,0,0]=3 206 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|1,0,0]=2 208 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [0,0,0,0,0,1|1,0,0]=2 209 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [0,0,0,0,0,1|1,0,0]=2 210 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|2,0,0]=3 212 B7R0.1 CC\C=C\C=C\C=C CHEBI:77504 [1,0,1,0,0,0|0,0,1]=3 213 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|1,0,1]=4 215 B7R0.4 C\C=C/C=C\C(=O)O CHEBI:38359 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.4 C\C=C\C=C/C(=O)O CHEBI:38360 [1,0,1,0,0,0|1,0,1]=4 217 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:35962 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.4 C\C=C\C=C\C(=O)O CHEBI:38358 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:36550 [1,0,1,0,0,0|1,0,1]=4 220 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77868 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.4 C\C=C\C=C\C(=O)[O-] CHEBI:77869 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.5 C=C\C=C(/C(=O)O)\O CHEBI:1113 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.5 C=C\C=C(/C(=O)[O-])\O CHEBI:60886 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:18355 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.5 C=C\C=C(\C(=O)O)/O CHEBI:48643 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:37319 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.5 C=C\C=C(\C(=O)[O-])/O CHEBI:67152 [1,0,1,0,0,0|2,0,0]=4 228 B7R1.3 C[n+]1ccccc1 CHEBI:15761 [2,0,0,0,0,0|1,0,0]=3 229 B7R1.3 Cc1ccccc1 CHEBI:17578 [2,0,0,0,0,0|0,0,0]=2 230 B7R1.3 Cc1ccccn1 CHEBI:50415 [2,0,0,0,0,0|1,0,0]=3 231 B7R1.3 Cc1cccnc1 CHEBI:39922 [2,0,0,0,0,0|1,0,0]=3 232 B7R1.3 Cc1ccncc1 CHEBI:32547 [2,0,0,0,0,0|1,0,0]=3 233 B7R1.3 [Li]c1ccccc1 CHEBI:51470 [2,0,0,0,0,0|1,0,0]=3 234 B7R1.3 c1c[nH]ccc1=O CHEBI:133125 [2,0,0,0,0,0|1,0,0]=3 235 B7R1.3 c1cc(cnc1)Br CHEBI:51575 [2,0,0,0,0,0|2,0,0]=4 236 B7R1.3 c1cc(cnc1)O CHEBI:87440 [2,0,0,0,0,0|1,0,1]=4 237 B7R1.3 c1cc[n+](cc1)[O-] CHEBI:29136 [2,0,0,0,0,0|1,0,1]=4 238 B7R1.3 c1ccc(cc1)Br CHEBI:3179 [2,0,0,0,0,0|1,0,0]=3 239 B7R1.3 c1ccc(cc1)Cl CHEBI:28097 [2,0,0,0,0,0|1,0,0]=3 240 B7R1.3 c1ccc(cc1)F CHEBI:5115 [2,0,0,0,0,0|1,0,0]=3 241 B7R1.3 c1ccc(cc1)N CHEBI:17296 [2,0,0,0,0,0|1,0,0]=3 242 B7R1.3 c1ccc(cc1)O CHEBI:15882 [2,0,0,0,0,0|0,0,1]=3 243 B7R1.3 c1ccc(cc1)S CHEBI:48498 [2,0,0,0,0,0|0,1,0]=3 244 B7R1.3 c1ccc(cc1)[Hg+] CHEBI:30787 [2,0,0,0,0,0|1,0,0]=3 245 B7R1.3 c1ccc(cc1)[Hg] CHEBI:49819 [2,0,0,0,0,0|1,0,0]=3 246 B7R1.3 c1ccc(cc1)[NH] CHEBI:48372 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 c1ccc(cc1)[O+] CHEBI:52245 [2,0,0,0,0,0|0,0,1]=3 248 B7R1.3 c1ccc(cc1)[O-] CHEBI:50526 [2,0,0,0,0,0|0,0,1]=3 249 B7R1.3 c1ccc(cc1)[O-] CHEBI:52476 [2,0,0,0,0,0|0,0,1]=3 250 B7R1.3 c1ccnc(c1)Br CHEBI:51574 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.3 c1ccnc(c1)Cl CHEBI:39174 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 c1ccnc(c1)O CHEBI:16540 [2,0,0,0,0,0|1,0,1]=4 253 B7R1.3 c1ccnc(c1)S CHEBI:45223 [2,0,0,0,0,0|1,1,0]=4 254 B7R1.3 c1ccoc(=O)c1 CHEBI:37965 [2,0,0,0,0,0|1,0,0]=3 255 B7R1.3 c1cnccc1Br CHEBI:51576 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.3 c1cnccc1N CHEBI:34385 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.3 c1cnccc1O CHEBI:87614 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.3 c1coccc1=O CHEBI:37966 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.1 CC(=C)\C=C\C=C(/C)\C=C CHEBI:87600 [0,1,1,0,0,0|1,0,0]=3 260 B9R0.1 CC(=CC\C=C(/C)\C=C)C CHEBI:64280 [0,1,1,0,0,0|1,0,1]=4 261 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:10436 [0,1,1,0,0,0|1,0,1]=4 262 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:87574 [0,1,1,0,0,0|1,0,1]=4 263 B9R0.1 CC(=O)\C=C\C=C(/C)\C=O CHEBI:1283 [0,1,1,0,0,0|1,0,0]=3 264 B9R0.1 C\C(=C/C=C/C(=O)C)\CO CHEBI:53533 [0,1,1,0,0,0|1,0,1]=4 265 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/N CHEBI:15745 [0,1,1,0,0,0|2,0,0]=4 266 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/O CHEBI:67110 [0,1,1,0,0,0|2,0,0]=4 267 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/N CHEBI:57495 [0,1,1,0,0,0|2,0,0]=4 268 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/O CHEBI:66943 [0,1,1,0,0,0|2,0,0]=4 269 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/[NH3+] CHEBI:77634 [0,1,1,0,0,0|2,0,0]=4 270 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:17236 [0,1,1,0,0,0|2,0,0]=4 271 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:71207 [0,1,1,0,0,0|2,0,0]=4 272 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:58068 [0,1,1,0,0,0|2,0,0]=4 273 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:71198 [0,1,1,0,0,0|2,0,0]=4 274 B9R0.48 C(=C/C(=O)O)/C(=C\C=O)/O CHEBI:18301 [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|2,0,0]=4 276 B9R0.48 C(=C\C(=O)O)/C(=C/C=O)/O CHEBI:67103 [0,1,1,0,0,0|2,0,0]=4 277 B9R0.48 C(=C\C(=O)[O-])/C(=C/C=O)/O CHEBI:66947 [0,1,1,0,0,0|2,0,0]=4 278 B9R0.55 C(=C/C(=O)O)/C=C\C(=O)O CHEBI:16508 [0,1,1,0,0,0|2,0,0]=4 279 B9R0.55 C(=C/C(=O)O)/C=C\C(=O)[O-] CHEBI:36501 [0,1,1,0,0,0|2,0,0]=4 280 B9R0.55 C(=C/C(=O)[O-])/C=C\C(=O)[O-] CHEBI:32379 [0,1,1,0,0,0|2,0,0]=4 281 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O CHEBI:27036 [0,1,1,0,0,0|2,0,0]=4 282 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)O CHEBI:38407 [0,1,1,0,0,0|2,0,0]=4 283 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)[O-] CHEBI:36502 [0,1,1,0,0,0|2,0,0]=4 284 B9R0.55 C(=C\C(=O)O)/C=C/C(=O)[O-] CHEBI:36504 [0,1,1,0,0,0|2,0,0]=4 285 B9R0.55 C(=C\C(=O)O)/C=C\C(=O)O CHEBI:27671 [0,1,1,0,0,0|2,0,0]=4 286 B9R0.55 C(=C\C(=O)[O-])/C=C/C(=O)[O-] CHEBI:27035 [0,1,1,0,0,0|2,0,0]=4 287 B9R0.55 C(=C\C(=O)[O-])/C=C/C(=O)[O-] CHEBI:36157 [0,1,1,0,0,0|2,0,0]=4 288 B9R0.55 C(=C\C(=O)[O-])/C=C\C(=O)[O-] CHEBI:27031 [0,1,1,0,0,0|2,0,0]=4 289 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,1,0,0,0,0|0,0,1]=3 290 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,1,0,0,0,0|0,0,1]=3 291 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,1,0,0,0,0|1,0,0]=3 295 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|0,0,2]=4 297 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|0,0,2]=4 300 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|0,0,1]=3 302 B9R1.2 COc1cccc(c1)O CHEBI:52678 [1,1,0,0,0,0|1,0,0]=3 303 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|0,0,2]=4 306 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,1,0,0,0,0|0,0,1]=3 308 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,1,0,0,0,0|0,0,1]=3 309 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|1,0,1]=4 311 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|0,0,2]=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|0,0,1]=3 315 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|0,0,1]=3 317 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 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 CCc1ccccc1C CHEBI:34276 [1,1,0,0,0,0|0,0,1]=3 323 B9R1.15 COc1ccccc1I CHEBI:16355 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.15 COc1ccccc1O CHEBI:28591 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.15 Cc1ccccc1C=O CHEBI:27434 [1,1,0,0,0,0|0,0,0]=2 326 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [1,1,0,0,0,0|0,0,0]=2 328 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [1,1,0,0,0,0|0,0,2]=4 329 B9R1.11 CCC(=O)n1ccnc1 CHEBI:27449 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.35 Cc1ccc(o1)C(=O)C CHEBI:562752 [0,1,0,0,1,0|1,0,0]=3 331 B9R1.35 c1cc([nH]c1C(=O)O)O CHEBI:62212 [0,1,0,0,1,0|2,0,0]=4 332 B9R1.35 c1cc([nH]c1C(=O)[O-])O CHEBI:62210 [0,1,0,0,1,0|2,0,0]=4 333 B9R1.35 c1cc(oc1C(=O)O)O CHEBI:86395 [0,1,0,0,1,0|2,0,0]=4 334 B9R1.41 CC(=O)c1cccn1C CHEBI:59982 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,1,0,0,0,1|0,0,0]=2 336 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,1,0,0,0,1|0,0,0]=2 337 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,1|0,0,0]=2 338 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,1|0,0,0]=2 339 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,1|1,1,0]=4 344 B11R1.36 CC(=O)C(=O)c1ccccc1 CHEBI:63552 [0,1,0,0,0,1|0,0,0]=2 345 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [0,1,0,0,0,1|1,0,1]=4 346 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,1,0,0,0,1|0,0,2]=4 347 B11R1.36 CC(c1ccccc1)C(=O)O CHEBI:48526 [0,1,0,0,0,1|1,0,0]=3 348 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [0,1,0,0,0,1|1,0,1]=4 349 B11R1.36 C[C@@H](c1ccccc1)C(=O)O CHEBI:48527 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.36 C[C@H](c1ccccc1)C(=O)O CHEBI:43035 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.36 c1ccc(cc1)C(=O)C(=O)[O-] CHEBI:36656 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.36 c1ccc(cc1)C(C(=O)O)N CHEBI:55484 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,1,0,0,0,1|1,0,0]=3 356 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N CHEBI:439819 [0,1,0,0,0,1|1,0,0]=3 357 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N CHEBI:44962 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,1,0,0,0,1|1,0,0]=3 362 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])[NH3+] CHEBI:77399 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:35340 [0,1,0,0,0,1|1,0,1]=4 365 B11R1.40 C[C@@H](Cc1ccccc1)NC CHEBI:6809 [0,1,0,0,0,1|1,0,1]=4 366 B11R1.40 C[C@@H](Cc1ccccc1)[NH2+]C CHEBI:132297 [0,1,0,0,0,1|1,0,1]=4 367 B11R1.40 c1ccc(cc1)C\C(=N\O)\S CHEBI:17520 [0,1,0,0,0,1|1,0,1]=4 368 B11R1.40 c1ccc(cc1)C\C(=N\O)\[S-] CHEBI:58176 [0,1,0,0,0,1|1,0,1]=4 369 B11R1.86 CC(C)Oc1ccccc1O CHEBI:38547 [0,1,0,0,0,1|1,0,1]=4 370 B11R1.86 c1ccc(c(c1)CC(=O)O)O CHEBI:28478 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.86 c1ccc(c(c1)CC(=O)[O-])O CHEBI:62423 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.157 CC(=O)Nc1cccc(c1)O CHEBI:76987 [0,1,0,0,0,1|0,0,0]=2 373 B11R1.157 CC(=O)Oc1cccc(c1)O CHEBI:29672 [0,1,0,0,0,1|0,0,0]=2 374 B11R1.157 Cc1cccc(c1)CC(=O)O CHEBI:88356 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.157 c1cc(cc(c1)O)CC(=O)O CHEBI:17445 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.157 c1cc(cc(c1)O)CC(=O)[O-] CHEBI:58149 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.509 CC(C)(Cc1ccccc1)N CHEBI:8080 [0,1,0,0,0,1|1,0,1]=4 378 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50506 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.509 CC(C)(Cc1ccccc1)[NH3+] CHEBI:50508 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.509 CS(=Nc1ccccc1)(=O)C CHEBI:47831 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.509 c1ccc(cc1)CS(=O)(=O)F CHEBI:8102 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.509 c1ccc(cc1)NS(=O)(=O)O CHEBI:61691 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.509 c1ccc(cc1)NS(=O)(=O)[O-] CHEBI:3024 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.509 c1ccc(cc1)OP(=O)(O)O CHEBI:37548 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.509 c1ccc(cc1)OS(=O)(=O)O CHEBI:27905 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.509 c1ccc(cc1)OS(=O)(=O)[O-] CHEBI:85289 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.3 CC(=O)c1ccc(cc1)OC CHEBI:86567 [0,2,0,0,0,0|0,0,0]=2 388 B11R1.3 CC(C)c1ccc(cc1)C=O CHEBI:28671 [0,2,0,0,0,0|1,0,1]=4 389 B11R1.3 CC(c1ccc(cc1)OC)O CHEBI:86566 [0,2,0,0,0,0|0,0,2]=4 390 B11R1.3 CN(C)c1ccc(cc1)C=O CHEBI:91114 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.3 CN(C)c1ccc(cc1)N=O CHEBI:59990 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.3 CN(C)c1ccc(cc1)NO CHEBI:59991 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.3 CN(C)c1ccc(cc1)[N+]#N CHEBI:35095 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.3 CN(C)c1ccc(cc1)[N+]#N CHEBI:38898 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.3 COc1ccc(cc1)C(=O)O CHEBI:40813 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.3 COc1ccc(cc1)C(=O)[O-] CHEBI:16639 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CHEBI:1911 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl CHEBI:28420 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O CHEBI:49644 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.3 c1cc(ccc1C(=O)[O-])[N+]#N CHEBI:64443 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] CHEBI:66926 [0,2,0,0,0,0|2,0,0]=4 402 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] CHEBI:62822 [0,2,0,0,0,0|2,0,0]=4 403 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] CHEBI:87406 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] CHEBI:41214 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] CHEBI:66931 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] CHEBI:64469 [0,2,0,0,0,0|2,0,0]=4 407 B11R1.19 CC(C)(C)c1ccc(cc1)O CHEBI:34444 [0,2,0,0,0,0|1,0,1]=4 408 B11R1.19 C[Si](C)(C)c1ccc(cc1)O CHEBI:39394 [0,2,0,0,0,0|1,1,0]=4 409 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N CHEBI:34435 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O CHEBI:27849 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] CHEBI:27023 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.19 c1cc(ccc1N)S(=O)(=O)N CHEBI:45373 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.19 c1cc(ccc1N)S(=O)(=O)O CHEBI:27500 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.19 c1cc(ccc1N)S(=O)(=O)[O-] CHEBI:20313 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.19 c1cc(ccc1N)[As](=O)(O)O CHEBI:49477 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36048 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.19 c1cc(ccc1N)[As](=O)(O)[O-] CHEBI:36049 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.19 c1cc(ccc1O)S(=O)(=O)O CHEBI:32354 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] CHEBI:49823 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [0,2,0,0,0,0|0,0,0]=2 421 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] CHEBI:66891 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.21 Cc1ccc(cc1O)C(C)C CHEBI:3440 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.21 Cn1cc(ccc1=O)C(=O)N CHEBI:27410 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N CHEBI:67116 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CHEBI:16318 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)[O-] CHEBI:57730 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,2,0,0,0,0|0,0,0]=2 439 B11R1.22 COC(=O)c1ccc(cc1)O CHEBI:31835 [0,2,0,0,0,0|0,0,0]=2 440 B11R1.22 [*]OC(=O)c1ccc(cc1)O CHEBI:79323 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.22 c1cc(ccc1C(=O)CO)O CHEBI:35164 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,2,0,0,0,0|0,0,2]=4 443 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,2,0,0,0,0|0,0,2]=4 444 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,2,0,0,0,0|0,0,2]=4 445 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,2,0,0,0,0|0,0,2]=4 446 B11R1.166 CC(=O)c1ccc(cc1O)O CHEBI:18414 [0,2,0,0,0,0|0,0,0]=2 447 B11R1.166 Cc1cc(ccc1C(=O)C)O CHEBI:87314 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O CHEBI:38683 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.166 Cc1ccc(c(c1)C)C(=O)O CHEBI:64811 [0,2,0,0,0,0|1,0,0]=3 450 B11R1.166 Cc1ccc(c(c1)C)C(=O)[O-] CHEBI:64812 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.166 Cc1ccc(c(c1)O)C(=O)O CHEBI:20450 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.166 Cc1ccc(c(c1)O)C(C)C CHEBI:27607 [0,2,0,0,0,0|1,0,1]=4 453 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O CHEBI:30748 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)[O-] CHEBI:28995 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O CHEBI:59472 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.166 c1cc(c(cc1N)O)C(=O)O CHEBI:27565 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.166 c1cc(nc(c1C(=O)O)O)O CHEBI:49087 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.166 c1cc(nc(c1C(=O)[O-])O)O CHEBI:58780 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.7 CC(C)(c1ccccc1)OO CHEBI:78673 [0,2,0,0,0,0|0,0,2]=4 460 B11R1.7 CC(CO)(c1ccccc1)O CHEBI:131360 [0,2,0,0,0,0|0,0,2]=4 461 B11R1.12 c1ccc(cc1)\C(=N/O)\C#N CHEBI:38842 [0,2,0,0,0,0|0,0,2]=4 462 B11R1.16 C=CCC(c1ccccc1)O CHEBI:131375 [0,2,0,0,0,0|0,0,2]=4 463 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [0,2,0,0,0,0|0,0,1]=3 464 B11R1.16 CNCC(c1ccccc1)O CHEBI:16913 [0,2,0,0,0,0|0,0,2]=4 465 B11R1.16 COCC(=O)c1ccccc1 CHEBI:52400 [0,2,0,0,0,0|0,0,0]=2 466 B11R1.16 C[NH2+]CC(c1ccccc1)O CHEBI:57946 [0,2,0,0,0,0|0,0,2]=4 467 B11R1.16 c1ccc(cc1)C(=O)CC#N CHEBI:51855 [0,2,0,0,0,0|0,0,0]=2 468 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO CHEBI:52091 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.222 CCC(C)c1ccccc1O CHEBI:34303 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [0,2,0,0,0,0|0,0,0]=2 471 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [0,2,0,0,0,0|0,0,0]=2 472 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)O CHEBI:1015 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.87 c1ccc(c(c1)N)S(=O)(=O)[O-] CHEBI:15942 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)O CHEBI:71049 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)N CHEBI:27764 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.155 c1cc(cc(c1)S(=O)(=O)O)O CHEBI:71047 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.155 c1cc(cc(c1)S(=O)(=O)[O-])N CHEBI:19963 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.53 CNc1ccccc1C(=O)O CHEBI:16394 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.53 CNc1ccccc1C(=O)[O-] CHEBI:36557 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.53 COc1ccccc1[N+](=O)[O-] CHEBI:48722 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.53 c1ccc(c(c1)C(=O)O)I=O CHEBI:52698 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.53 c1ccc(c(c1)C(=O)O)NO CHEBI:25618 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.53 c1ccc(c(c1)C(=O)[O-])[N+]#N CHEBI:64432 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.53 c1ccc(c(c1)C=O)C(=O)[O-] CHEBI:58203 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.53 c1ccc(c(c1)C=O)[N+](=O)[O-] CHEBI:66927 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.53 c1ccc(c(c1)[N+]#N)[N+](=O)[O-] CHEBI:64467 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.156 Cc1cccc(c1C(=O)O)C CHEBI:64827 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.156 Cc1cccc(c1C(=O)O)O CHEBI:17637 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.156 Cc1cccc(c1C(=O)[O-])C CHEBI:64828 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.156 Cc1cccc(c1C(=O)[O-])O CHEBI:36658 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)Cl CHEBI:28435 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)Cl CHEBI:48623 [0,2,0,0,0,0|1,0,0]=3 497 B11R1.156 c1cc(c(c(c1)Cl)C(=O)[O-])Cl CHEBI:48624 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O CHEBI:68465 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.156 c1cc(c(c(c1)O)C(=O)[O-])O CHEBI:131450 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)O CHEBI:15953 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.159 C1=CC(=O)C(=N)C(=C1)C(=O)[O-] CHEBI:57583 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.159 C1=CC(=O)C(C(=C1)C(=O)O)N CHEBI:61149 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.159 C1=CC(=O)C(C(=C1)C(=O)[O-])N CHEBI:61150 [0,2,0,0,0,0|1,0,1]=4 504 B11R1.159 CC(C)c1cccc(c1O)O CHEBI:28708 [0,2,0,0,0,0|1,0,1]=4 505 B11R1.159 Cc1cccc(c1C)C(=O)O CHEBI:64823 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.159 Cc1cccc(c1C)C(=O)[O-] CHEBI:64824 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.159 Cc1cccc(c1O)C(=O)O CHEBI:20141 [0,2,0,0,0,0|1,0,0]=3 508 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O CHEBI:15793 [0,2,0,0,0,0|1,0,0]=3 509 B11R1.159 c1cc(c(c(c1)O)N)C(=O)[O-] CHEBI:36559 [0,2,0,0,0,0|1,0,0]=3 510 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O CHEBI:18026 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.159 c1cc(c(c(c1)O)O)C(=O)[O-] CHEBI:36654 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.167 Cc1ccc(c(c1)C(=O)O)C CHEBI:64825 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.167 Cc1ccc(c(c1)C(=O)[O-])C CHEBI:64826 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N CHEBI:66920 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.167 Cn1ccc(=O)c(c1)C(=O)N CHEBI:27838 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.167 c1cc(c(cc1Cl)C(=O)O)Cl CHEBI:132298 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O CHEBI:420128 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.167 c1cc(c(cc1Cl)C(=O)[O-])O CHEBI:59131 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.167 c1cc(c(cc1F)C(=O)O)N CHEBI:78042 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.167 c1cc(c(cc1N)C(=O)O)O CHEBI:6775 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.167 c1cc(c(cc1N)C(=O)[O-])O CHEBI:20551 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])F CHEBI:48642 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.167 c1cc(c(cc1N)[N+](=O)[O-])N CHEBI:76394 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.167 c1cc(c(cc1O)C(=O)O)O CHEBI:17189 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.167 c1cc(c(cc1O)C(=O)[O-])O CHEBI:58044 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl CHEBI:62961 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.74 Cc1cc(cc(=O)[nH]1)C(=O)C CHEBI:66524 [0,2,0,0,0,0|1,0,0]=3 528 B11R1.74 Cc1cc(cc(c1)C(=O)O)C CHEBI:64821 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.74 Cc1cc(cc(c1)C(=O)[O-])C CHEBI:64822 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.74 c1c(cc(cc1N)O)C(=O)O CHEBI:29507 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.74 c1c(cc(cc1N)O)C(=O)[O-] CHEBI:71959 [0,2,0,0,0,0|1,0,0]=3 532 B11R1.74 c1c(cc(cc1O)I)[N+](=O)[O-] CHEBI:77180 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.74 c1c(cc(cc1O)O)C(=O)O CHEBI:39912 [0,2,0,0,0,0|1,0,0]=3 534 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O CHEBI:73179 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.266 CCc1cc(ccn1)C(=O)O CHEBI:74682 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CHEBI:48972 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.266 c1cc(cc(c1)[N+]#N)C(=O)[O-] CHEBI:64438 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])[N+]#N CHEBI:64468 [0,2,0,0,0,0|2,0,0]=4 539 B9R2.50 c1ccc2c(c1)CC2 CHEBI:87328 [1,0,0,1,0,0|0,0,1]=3 540 B11R2.4 c1ccc(cc1)C2CC2N CHEBI:131512 [0,0,0,1,0,1|1,0,1]=4 541 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131510 [0,0,0,1,0,1|1,0,1]=4 542 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N CHEBI:131514 [0,0,0,1,0,1|1,0,1]=4 543 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2[NH3+] CHEBI:131517 [0,0,0,1,0,1|1,0,1]=4 544 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131511 [0,0,0,1,0,1|1,0,1]=4 545 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2N CHEBI:131516 [0,0,0,1,0,1|1,0,1]=4 546 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] CHEBI:131520 [0,0,0,1,0,1|1,0,1]=4 547 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [0,0,0,1,0,1|1,0,0]=3 548 B11R2.10 Cc1nc2ccccc2o1 CHEBI:51603 [0,0,0,1,0,1|0,0,1]=3 549 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [0,0,0,1,0,1|2,0,0]=4 550 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [0,0,0,1,0,1|0,0,1]=3 551 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [0,0,0,1,0,1|0,0,0]=2 552 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [0,0,0,1,0,1|0,0,0]=2 553 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [0,0,0,1,0,1|2,0,0]=4 554 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [0,0,0,1,0,1|1,0,1]=4 555 B11R2.10 c1ccc2c(c1)nc(s2)O CHEBI:115196 [0,0,0,1,0,1|1,0,1]=4 556 B11R2.10 c1ccc2c(c1)nc(s2)S CHEBI:34292 [0,0,0,1,0,1|1,1,0]=4 557 B11R2.34 c1cc(ccc1C2CC2)Br CHEBI:87498 [0,1,0,1,0,0|1,0,1]=4 558 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [0,1,0,1,0,0|1,0,1]=4 559 B11R2.1 C=C1C=Nc2c1cccc2 CHEBI:63905 [0,1,0,1,0,0|1,0,1]=4 560 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [0,1,0,1,0,0|1,0,0]=3 561 B11R2.1 c1ccc2c(c1)C(=O)C=N2 CHEBI:51629 [0,1,0,1,0,0|0,0,1]=3 562 B11R2.1 c1ccc2c(c1)C(=O)CN2 CHEBI:51628 [0,1,0,1,0,0|0,0,0]=2 563 B11R2.1 c1ccc2c(c1)CCC2=O CHEBI:17404 [0,1,0,1,0,0|0,0,0]=2 564 B11R2.1 c1ccc2c(c1)CCC2O CHEBI:16697 [0,1,0,1,0,0|0,0,2]=4 565 B11R2.1 c1ccc2c(c1)CNC2=O CHEBI:74235 [0,1,0,1,0,0|0,0,0]=2 566 B11R2.1 c1ccc2c(c1)COC2=O CHEBI:38085 [0,1,0,1,0,0|0,0,0]=2 567 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 CHEBI:167099 [0,1,0,1,0,0|1,0,0]=3 568 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [0,1,0,1,0,0|1,0,1]=4 569 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.1 c1cc([nH]c1)C=O CHEBI:59978 [1,0,0,0,1,0|1,0,0]=3 571 B7R1.1 c1cc(oc1)C=O CHEBI:34768 [1,0,0,0,1,0|1,0,0]=3 572 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|0,0,0]=2 576 B11R1.91 CC(=O)OCc1ccccc1 CHEBI:52051 [0,0,0,0,0,2|0,0,0]=2 577 B11R1.91 CC(=O)O[Hg]c1ccccc1 CHEBI:27684 [0,0,0,0,0,2|0,0,0]=2 578 B11R1.91 CC(=O)\C=C/c1ccccc1 CHEBI:78400 [0,0,0,0,0,2|0,0,0]=2 579 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:217301 [0,0,0,0,0,2|0,0,0]=2 580 B11R1.91 CC(=O)\C=C\c1ccccc1 CHEBI:78399 [0,0,0,0,0,2|0,0,0]=2 581 B11R1.91 c1ccc(cc1)C#CC(=O)O CHEBI:90355 [0,0,0,0,0,2|1,0,0]=3 582 B11R1.91 c1ccc(cc1)CCC(=O)O CHEBI:28631 [0,0,0,0,0,2|1,0,0]=3 583 B11R1.91 c1ccc(cc1)CCC(=O)[O-] CHEBI:51057 [0,0,0,0,0,2|1,0,0]=3 584 B11R1.91 c1ccc(cc1)NCC(=O)O CHEBI:55477 [0,0,0,0,0,2|1,0,0]=3 585 B11R1.91 c1ccc(cc1)OCC(=O)O CHEBI:8075 [0,0,0,0,0,2|1,0,0]=3 586 B11R1.91 c1ccc(cc1)OCC(=O)[O-] CHEBI:38846 [0,0,0,0,0,2|1,0,0]=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|1,0,0]=3 589 B11R1.91 c1ccc(cc1)\C=C/C(=O)[O-] CHEBI:35700 [0,0,0,0,0,2|1,0,0]=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|1,0,0]=3 593 B11R1.91 c1ccc(cc1)\C=C\C(=O)O CHEBI:35697 [0,0,0,0,0,2|1,0,0]=3 594 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:15669 [0,0,0,0,0,2|1,0,0]=3 595 B11R1.91 c1ccc(cc1)\C=C\C(=O)[O-] CHEBI:23248 [0,0,0,0,0,2|1,0,0]=3