0 B10R1.1 C=CCc1ccc(cc1)O CHEBI:50158 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CCOc1ccc(cc1)N CHEBI:85505 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.1 COCc1ccc(cc1)O CHEBI:133885 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 C\C=C\c1ccc(cc1)O CHEBI:73343 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 Cc1ccc(cc1)N=C=O CHEBI:53732 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.1 c1cc(ccc1CC#N)Cl CHEBI:17346 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.1 c1cc(ccc1CC#N)O CHEBI:16667 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 c1cc(ccc1CC=O)O CHEBI:15621 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.1 c1cc(ccc1CCN)O CHEBI:15760 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.1 c1cc(ccc1CCO)O CHEBI:1879 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.1 c1cc(ccc1CC[NH3+])O CHEBI:327995 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.1 COc1ccc(cc1)Br CHEBI:47257 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.1 Cc1ccc(cc1)CO CHEBI:1895 [1,0,0,0,0,0|0,0,1]=2 19 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.1 c1cc(ccc1NN)Cl CHEBI:53660 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CCCc1ccccc1 CHEBI:42630 [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 CCOc1ccccc1 CHEBI:67129 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 c1c(cncn1)NC=O CHEBI:35877 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 c1ccc(cc1)C#[N+][O-] CHEBI:37829 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 c1ccc(cc1)CC#N CHEBI:25979 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 c1ccc(cc1)CC=O CHEBI:16424 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.8 c1ccc(cc1)CCN CHEBI:18397 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 c1ccc(cc1)CCO CHEBI:49000 [1,0,0,0,0,0|0,0,2]=3 31 B9R1.8 c1ccc(cc1)CC[NH3+] CHEBI:225237 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 c1ccc(cc1)N=C=O CHEBI:53806 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.8 c1ccc(cc1)N=C=S CHEBI:85103 [1,0,0,0,0,0|1,1,1]=4 34 B9R1.8 c1ccc(cc1)NC=O CHEBI:42416 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 c1ccc(cc1)OC#N CHEBI:38903 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 c1ccnc(c1)CCN CHEBI:74024 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.1 CNCCc1ccc(cc1)O CHEBI:17458 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.1 C[NH2+]CCc1ccc(cc1)O CHEBI:58155 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.1 c1cc(ccc1C\C=N/O)O CHEBI:15667 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15665 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.1 c1cc(ccc1C\C=N\O)O CHEBI:15666 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.1 c1cc(ccc1\C=C\C=O)O CHEBI:28353 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:28386 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.1 c1cc(ccc1\C=C\CO)O CHEBI:64555 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CHEBI:29132 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CHEBI:116915 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.20 CC(=O)Nc1ccc(cc1)O CHEBI:46195 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.20 CC(=O)Oc1ccc(cc1)O CHEBI:31128 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.20 c1cc(ccc1CC(=O)O)Cl CHEBI:30749 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.20 c1cc(ccc1CC(=O)O)O CHEBI:18101 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.20 c1cc(ccc1CC(=O)[O-])Cl CHEBI:16237 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.20 c1cc(ccc1CC(=O)[O-])O CHEBI:48999 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 c1cc(ccc1NC(=S)N)Br CHEBI:34391 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.22 CCC(=O)c1ccc(cc1)C CHEBI:59335 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.83 COc1ccc(cc1)CCN CHEBI:266039 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.83 C\C=C/c1ccc(cc1)OC CHEBI:78412 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:2716 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.83 C\C=C\c1ccc(cc1)OC CHEBI:35616 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.192 C1=CC(=O)C(=O)C=C1CCN CHEBI:74684 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.192 Cc1ccc(cc1C)N=C=O CHEBI:60098 [0,1,0,0,0,0|1,0,1]=3 67 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [0,1,0,0,0,0|2,0,1]=4 71 B9R0.46 C\C(=C/C=C/CC=O)\CO CHEBI:51922 [0,0,1,0,0,0|1,0,1]=3 72 B11R2.34 c1cc(ccc1C2CC2)Br CHEBI:87498 [0,0,0,1,0,0|2,0,1]=4 73 B11R2.36 C1=CC(=O)C=C2C1=CC=N2 CHEBI:51633 [0,0,0,1,0,0|2,0,1]=4 74 B11R2.36 C1=CC2=NC=CC2=CC1=O CHEBI:51632 [0,0,0,1,0,0|3,0,0]=4 75 B11R2.36 Cc1ccc2c(c1)nc[nH]2 CHEBI:40205 [0,0,0,1,0,0|2,0,0]=3 76 B11R2.36 Cc1ccc2c(c1)nn[nH]2 CHEBI:83455 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.36 c1cc2c(cc1O)CCC2 CHEBI:59311 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.36 c1cc2c(cc[nH]2)cc1F CHEBI:72818 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.36 c1cc2c(cc[nH]2)cc1N CHEBI:33067 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.36 c1cc2c(cc[nH]2)cc1O CHEBI:89649 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.7 Cn1cc(nc1)CC=O CHEBI:28104 [0,0,0,0,1,0|2,0,0]=3 82 B8R1.2 C=Cc1ccccc1 CHEBI:27452 [2,0,0,0,0,0|0,0,1]=3 83 B8R1.2 CCc1ccccc1 CHEBI:16101 [2,0,0,0,0,0|0,0,1]=3 84 B8R1.2 CNc1ccccc1 CHEBI:15733 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.2 COc1ccccc1 CHEBI:16579 [2,0,0,0,0,0|1,0,1]=4 86 B8R1.2 [C-]#[N+]c1ccccc1 CHEBI:29367 [2,0,0,0,0,0|1,0,1]=4 87 B8R1.2 c1cc(cnc1)C=O CHEBI:28345 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 c1cc[nH+]c(c1)CCl CHEBI:76602 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 c1ccc(cc1)C#N CHEBI:27991 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.2 c1ccc(cc1)C=O CHEBI:17169 [2,0,0,0,0,0|0,0,0]=2 91 B8R1.2 c1ccc(cc1)CBr CHEBI:59858 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.2 c1ccc(cc1)CCl CHEBI:615597 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 c1ccc(cc1)CN CHEBI:40538 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 c1ccc(cc1)CO CHEBI:17987 [2,0,0,0,0,0|0,0,1]=3 95 B8R1.2 c1ccc(cc1)C[NH3+] CHEBI:225238 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.2 c1ccc(cc1)N=O CHEBI:27986 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.2 c1ccc(cc1)NN CHEBI:27924 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 c1ccc(cc1)NO CHEBI:28902 [2,0,0,0,0,0|1,0,1]=4 99 B8R1.2 c1ccc(cc1)SO CHEBI:37866 [2,0,0,0,0,0|1,0,1]=4 100 B8R1.2 c1ccc(cc1)[As]=O CHEBI:75253 [2,0,0,0,0,0|1,0,0]=3 101 B8R1.2 c1ccc(cc1)[Mg]Br CHEBI:51238 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 c1ccc(cc1)[Mg]Cl CHEBI:51490 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 c1ccc(cc1)[N+]#N CHEBI:64466 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 c1ccnc(c1)C=O CHEBI:73012 [2,0,0,0,0,0|1,0,0]=3 105 B8R1.2 c1ccnc(c1)CCl CHEBI:76600 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 c1ccnc(c1)CCl CHEBI:76601 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.3 C1=CC(=O)C=CC1=N CHEBI:50192 [2,0,0,0,0,0|1,0,0]=3 108 B8R1.3 C1=CC(=O)C=CC1=O CHEBI:16509 [2,0,0,0,0,0|1,0,0]=3 109 B8R1.3 C=C1C=CC(=N)C=C1 CHEBI:52416 [2,0,0,0,0,0|1,0,0]=3 110 B8R1.3 C=C1C=CC(=O)C=C1 CHEBI:52406 [2,0,0,0,0,0|0,0,1]=3 111 B8R1.3 C=c1ccc(=C)cc1 CHEBI:52410 [2,0,0,0,0,0|0,0,1]=3 112 B8R1.3 Cc1ccc(cc1)C CHEBI:27417 [2,0,0,0,0,0|0,0,0]=2 113 B8R1.3 Cc1ccc(cc1)N CHEBI:37825 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.3 Cc1ccc(cc1)O CHEBI:17847 [2,0,0,0,0,0|0,0,1]=3 115 B8R1.3 c1cc(ccc1Br)Br CHEBI:37150 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.3 c1cc(ccc1Cl)Cl CHEBI:28618 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.3 c1cc(ccc1F)F CHEBI:38585 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.3 c1cc(ccc1N)Cl CHEBI:20331 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.3 c1cc(ccc1N)F CHEBI:28546 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.3 c1cc(ccc1N)N CHEBI:51403 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.3 c1cc(ccc1N)O CHEBI:17602 [2,0,0,0,0,0|1,0,1]=4 122 B8R1.3 c1cc(ccc1O)Br CHEBI:47248 [2,0,0,0,0,0|1,0,1]=4 123 B8R1.3 c1cc(ccc1O)Cl CHEBI:28078 [2,0,0,0,0,0|1,0,1]=4 124 B8R1.3 c1cc(ccc1O)I CHEBI:43521 [2,0,0,0,0,0|1,0,1]=4 125 B8R1.3 c1cc(ccc1O)O CHEBI:17594 [2,0,0,0,0,0|1,0,1]=4 126 B8R1.3 c1cc(ccc1O)O CHEBI:26491 [2,0,0,0,0,0|1,0,1]=4 127 B8R1.3 c1cc(ccc1O)[O] CHEBI:17977 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.3 COc1ccc(cc1)CN CHEBI:49837 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.3 c1cc(ccc1CO)NN CHEBI:16131 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.13 CC(=O)c1ccc(cc1)O CHEBI:28032 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.13 CC(C)c1ccc(cc1)N CHEBI:43405 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.13 CC(c1ccc(cc1)O)O CHEBI:31042 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.13 CS(=O)c1ccc(cc1)O CHEBI:38688 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 Cc1ccc(cc1)C(=O)O CHEBI:36635 [1,1,0,0,0,0|0,0,0]=2 135 B10R1.13 Cc1ccc(cc1)C(=O)[O-] CHEBI:28856 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.13 Cc1ccc(cc1)C(C)C CHEBI:28768 [1,1,0,0,0,0|0,0,1]=3 137 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] CHEBI:35227 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 c1cc(ccc1C(=O)Cl)Cl CHEBI:60716 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.13 c1cc(ccc1C(=O)O)Br CHEBI:60698 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 c1cc(ccc1C(=O)O)Cl CHEBI:30747 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.13 c1cc(ccc1C(=O)O)F CHEBI:20364 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.13 c1cc(ccc1C(=O)O)N CHEBI:30753 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.13 c1cc(ccc1C(=O)O)O CHEBI:30763 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.13 c1cc(ccc1C(=O)O)[Hg] CHEBI:28886 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.13 c1cc(ccc1C(=O)[O-])Cl CHEBI:17861 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.13 c1cc(ccc1C(=O)[O-])F CHEBI:27893 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.13 c1cc(ccc1C(=O)[O-])N CHEBI:17836 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:113449 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.13 c1cc(ccc1C(=O)[O-])O CHEBI:17879 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.13 c1cc(ccc1C(=O)[O-])[Hg] CHEBI:20435 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] CHEBI:17064 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.13 c1cc(ccc1[N+](=O)[O-])O CHEBI:16836 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.13 c1cc(ccc1[N+](=O)[O-])[O-] CHEBI:57917 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.13 c1cc(ncc1C(=O)N)N CHEBI:74514 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.13 c1cc(ncc1C(=O)O)N CHEBI:68583 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.13 c1cc(ncc1C(=O)O)O CHEBI:16168 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.13 c1cc(ncc1C(=O)[O-])O CHEBI:57664 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.25 c1cc(c(cc1Cl)Cl)CO CHEBI:48220 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.25 c1cc(c(cc1O)O)C=O CHEBI:50198 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.4 C=CCc1ccccc1O CHEBI:39826 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.4 Cc1ccccc1CC#N CHEBI:27982 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.4 Cc1ccccc1N=C=O CHEBI:60099 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.4 c1ccc(c(c1)CCO)O CHEBI:64803 [1,1,0,0,0,0|0,0,2]=4 166 B10R1.15 CCC(C)c1ccccc1 CHEBI:35097 [1,1,0,0,0,0|1,0,1]=4 167 B10R1.15 CC[C@@H](C)c1ccccc1 CHEBI:39013 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.15 CC[C@H](C)c1ccccc1 CHEBI:39014 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.15 c1ccc(cc1)C(C#N)N CHEBI:77398 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.15 c1ccc(cc1)C(C#N)O CHEBI:16910 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.15 c1ccc(cc1)C(CN)O CHEBI:16343 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.15 c1ccc(cc1)C(C[NH3+])O CHEBI:57741 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.15 c1ccc(cc1)[C@@H](C#N)O CHEBI:36941 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.15 c1ccc(cc1)[C@H](C#N)O CHEBI:18450 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.17 CCCCc1ccccc1 CHEBI:44194 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.17 c1ccc(cc1)CCC#N CHEBI:85426 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.17 c1ccc(cc1)CN=C=S CHEBI:17484 [1,1,0,0,0,0|0,1,1]=4 178 B10R1.17 c1ccc(cc1)CNC=O CHEBI:41117 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.17 c1ccc(cc1)CSC#N CHEBI:16017 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.17 c1ccc(cc1)C\C=N/O CHEBI:50723 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47791 [1,1,0,0,0,0|0,0,1]=3 182 B10R1.17 c1ccc(cc1)C\C=N\O CHEBI:47793 [1,1,0,0,0,0|0,0,1]=3 183 B10R1.17 c1ccc(cc1)OCCO CHEBI:64275 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.17 c1ccc(cc1)\C=C/CO CHEBI:33226 [1,1,0,0,0,0|0,0,2]=4 185 B10R1.17 c1ccc(cc1)\C=C\C=O CHEBI:16731 [1,1,0,0,0,0|0,0,1]=3 186 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:17177 [1,1,0,0,0,0|0,0,2]=4 187 B10R1.17 c1ccc(cc1)\C=C\CO CHEBI:33227 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.18 CC(=N)Oc1ccccc1 CHEBI:52478 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.18 CC(=O)Cc1ccccc1 CHEBI:52052 [1,1,0,0,0,0|0,0,0]=2 190 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.18 CC(=O)Oc1ccccc1 CHEBI:8082 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.18 CC(C)Cc1ccccc1 CHEBI:43261 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.18 CC(Cc1ccccc1)N CHEBI:132233 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.18 CC(Cc1ccccc1)N CHEBI:51063 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:4469 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.18 C[C@@H](Cc1ccccc1)N CHEBI:51064 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.18 C[C@H](Cc1ccccc1)N CHEBI:42724 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,1,0,0,0,0|0,0,0]=2 201 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,1,0,0,0,0|0,0,0]=2 202 B10R1.18 c1ccc(cc1)CC(=O)[O-] CHEBI:18401 [1,1,0,0,0,0|0,0,0]=2 203 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [1,1,0,0,0,0|1,0,0]=3 204 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,1,0,0,0,0|1,1,0]=4 205 B10R1.18 c1ccc(cc1)OP(=O)O CHEBI:91048 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.54 Cn1cc(nc1)CC(=O)O CHEBI:1606 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.54 Cn1cc(nc1)CC(=O)[O-] CHEBI:132918 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.21 CC(=O)CCc1ccc(cc1)O CHEBI:68656 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O CHEBI:68636 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.21 c1cc(ccc1CCC(=O)O)O CHEBI:32980 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.21 c1cc(ccc1CCC(=O)[O-])O CHEBI:16331 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.21 c1cc(ccc1NCC(=O)O)O CHEBI:55443 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.21 c1cc(ccc1OCC(=O)O)Cl CHEBI:1808 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.21 c1cc(ccc1OCC(=O)[O-])Cl CHEBI:28739 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.21 c1cc(ccc1\C=C/C(=O)O)O CHEBI:17450 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.21 c1cc(ccc1\C=C/C(=O)[O-])O CHEBI:58152 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl CHEBI:61116 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:32374 [0,2,0,0,0,0|1,0,1]=4 219 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:36090 [0,2,0,0,0,0|1,0,1]=4 220 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:12876 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:32373 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.49 COC(=O)Cc1ccc(cc1)O CHEBI:68078 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.69 Cc1ccc(c(c1)C)N\C=N\C CHEBI:83515 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.69 Cc1ncc(c(n1)N)CNC=O CHEBI:85895 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.71 CNCCc1ccc(cc1)OC CHEBI:75143 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.385 c1cc(c(cc1\C=C\C=O)O)O CHEBI:28323 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.4 CC(=O)Oc1ccc(cc1)C=O CHEBI:86559 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.4 COc1ccc(cc1)CC(=O)O CHEBI:55501 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.19 CC(=O)Nc1ccc(c(c1)N)Cl CHEBI:86568 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O CHEBI:47106 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [0,2,0,0,0,0|1,0,0]=3 233 B12R1.19 c1cc(c(cc1NC(=O)N)Cl)Cl CHEBI:83464 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.20 c1cc(ccc1C(=O)C(=O)O)O CHEBI:28719 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O CHEBI:58586 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.20 c1cc(ccc1C(C(=O)O)N)O CHEBI:50418 [0,2,0,0,0,0|1,0,0]=3 238 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O CHEBI:31755 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O CHEBI:15695 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])[NH3+])O CHEBI:57475 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)O CHEBI:82914 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.106 Cc1ccc(cc1)OS(=O)(=O)[O-] CHEBI:133670 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [0,2,0,0,0,0|1,0,0]=3 250 B12R1.286 COc1cc(ccc1O)CC=C CHEBI:4917 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.286 COc1cc(ccc1O)CC=O CHEBI:28111 [0,2,0,0,0,0|1,0,0]=3 252 B10R1.2 Cc1cccc(c1O)C=O CHEBI:20110 [0,0,1,1,0,0|1,0,1]=4 253 B10R2.6 c1ccc(cc1)C2CO2 CHEBI:17907 [1,0,0,1,0,0|0,0,2]=4 254 B10R2.6 c1ccc(cc1)[C@@H]2CO2 CHEBI:45389 [1,0,0,1,0,0|0,0,2]=4 255 B10R2.6 c1ccc(cc1)[C@H]2CO2 CHEBI:51014 [1,0,0,1,0,0|0,0,2]=4 256 B10R2.7 c1ccc2c(c1)C=C[CH]2 CHEBI:33053 [1,0,0,1,0,0|1,0,1]=4 257 B10R2.7 c1ccc2c(c1)C=C[C]2 CHEBI:33052 [1,0,0,1,0,0|1,0,1]=4 258 B10R2.7 c1ccc2c(c1)CC=C2 CHEBI:41921 [1,0,0,1,0,0|1,0,0]=3 259 B10R2.7 c1ccc2c(c1)CC=N2 CHEBI:35579 [1,0,0,1,0,0|1,0,0]=3 260 B10R2.7 c1ccc2c(c1)CCC2 CHEBI:37911 [1,0,0,1,0,0|1,0,1]=4 261 B10R2.7 c1ccc2c(c1)CCN2 CHEBI:43295 [1,0,0,1,0,0|1,0,1]=4 262 B10R2.7 c1ccc2c(c1)CCO2 CHEBI:87607 [1,0,0,1,0,0|0,0,2]=4 263 B10R2.7 c1ccc2c(c1)CN=C2 CHEBI:33178 [1,0,0,1,0,0|2,0,0]=4 264 B10R2.7 c1ccc2c(c1)COO2 CHEBI:38734 [1,0,0,1,0,0|1,0,1]=4 265 B10R2.7 c1ccc2c(c1)[n-]cn2 CHEBI:33173 [1,0,0,1,0,0|2,0,0]=4 266 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [1,0,0,1,0,0|2,0,0]=4 267 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [1,0,0,1,0,0|1,0,1]=4 268 B10R2.7 c1ccc2c(c1)cco2 CHEBI:35260 [1,0,0,1,0,0|0,0,2]=4 269 B10R2.7 c1ccc2c(c1)ccs2 CHEBI:35858 [1,0,0,1,0,0|0,1,1]=4 270 B10R2.7 c1ccc2c(c1)nco2 CHEBI:38814 [1,0,0,1,0,0|1,0,1]=4 271 B10R2.7 c1ccc2c(c1)ncs2 CHEBI:45993 [1,0,0,1,0,0|1,1,0]=4 272 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [0,1,0,1,0,0|1,0,1]=4 273 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 CHEBI:77861 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.606 c1cc2c(cc1O)oc(=O)s2 CHEBI:568021 [0,1,0,1,0,0|2,0,0]=4 275 B12R2.100 Cc1cc2c(cc1C)nc[nH]2 CHEBI:15890 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.8 c1c(nc[nH]1)CC=O CHEBI:27398 [1,0,0,0,1,0|2,0,0]=4