0 B11R1.280 COc1cc(ccc1O)C=C CHEBI:42438 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.280 COc1cc(ccc1O)C=O CHEBI:18346 [0,0,0,0,0,0|0,0,0]=0 2 B11R1.280 COc1cc(ccc1O)CN CHEBI:46958 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.280 COc1cc(ccc1O)CO CHEBI:18353 [0,0,0,0,0,0|0,0,2]=2 4 B10R1.30 Cc1c[nH]c(=O)nc1OC CHEBI:134100 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.30 c1cc(c(cc1N)C=O)O CHEBI:20550 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.30 c1cc(c(cc1O)C=O)O CHEBI:28508 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.176 c1cc(c(cc1C=O)N)O CHEBI:78237 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.176 c1cc(c(cc1C=O)O)O CHEBI:50205 [1,0,0,0,0,0|0,0,0]=1 9 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CHEBI:2781 [0,1,0,0,0,0|0,0,0]=1 10 B12R1.56 CC(c1ccc(c(c1)OC)O)O CHEBI:86590 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.56 COc1cc(ccc1O)C(=O)O CHEBI:30816 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:132748 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.56 COc1cc(ccc1O)C(=O)[O-] CHEBI:16632 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.78 COc1ccc(cc1OC)C=O CHEBI:17098 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.78 COc1ccc(cc1OC)CO CHEBI:62150 [0,1,0,0,0,0|0,0,2]=3 16 B12R1.78 COc1ccc(cc1OC)C[O] CHEBI:88143 [0,1,0,0,0,0|0,0,2]=3 17 B12R1.270 CCOc1cc(ccc1O)C=O CHEBI:48408 [0,1,0,0,0,0|0,0,0]=1 18 B12R1.286 COc1cc(ccc1O)CC=C CHEBI:4917 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.286 COc1cc(ccc1O)CC=O CHEBI:28111 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.286 C\C=C/c1ccc(c(c1)OC)O CHEBI:50543 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:18224 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CHEBI:50545 [0,1,0,0,0,0|1,0,0]=2 23 B12R2.44 c1cc2c(cc1C=O)OCO2 CHEBI:8240 [0,0,0,1,0,0|0,0,0]=1 24 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/N CHEBI:15745 [1,0,1,0,0,0|2,0,0]=4 25 B9R0.47 C(=C/C=O)/C=C(\C(=O)O)/O CHEBI:67110 [1,0,1,0,0,0|1,0,0]=3 26 B9R0.47 C(=C/C=O)/C=C(\C(=O)[O-])/O CHEBI:66943 [1,0,1,0,0,0|1,0,1]=4 27 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:17236 [1,0,1,0,0,0|1,0,0]=3 28 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O CHEBI:71207 [1,0,1,0,0,0|1,0,0]=3 29 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:58068 [1,0,1,0,0,0|1,0,1]=4 30 B9R0.47 C(=C\C=O)/C=C(/C(=O)[O-])\O CHEBI:71198 [1,0,1,0,0,0|1,0,1]=4 31 B9R1.2 CCc1cccc(c1)C CHEBI:77512 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.2 COc1cccc(c1)O CHEBI:52678 [2,0,0,0,0,0|0,0,1]=3 33 B9R1.2 Cc1cccc(c1)C=O CHEBI:28476 [2,0,0,0,0,0|0,0,0]=2 34 B9R1.2 c1cc(cc(c1)O)C=O CHEBI:16207 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.2 c1cc(cc(c1)O)CO CHEBI:17069 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.2 c1cc(cc(c1)O)NO CHEBI:50446 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.15 CCc1ccccc1C CHEBI:34276 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.15 COc1ccccc1I CHEBI:16355 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.15 COc1ccccc1O CHEBI:28591 [2,0,0,0,0,0|0,0,0]=2 40 B9R1.15 c1ccc(c(c1)C=N)O CHEBI:55426 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 c1ccc(c(c1)C=O)O CHEBI:16008 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 c1ccc(c(c1)CO)O CHEBI:16464 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.69 C1=CC(=O)C(=CC1=O)O CHEBI:18400 [2,0,0,0,0,0|0,0,1]=3 44 B9R1.69 C1=CC(=O)C(=CC1=O)[O-] CHEBI:58474 [2,0,0,0,0,0|0,0,2]=4 45 B9R1.69 Cc1cc(ccc1N)N CHEBI:53619 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.69 Cc1cc(ccc1N)O CHEBI:55546 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.69 Cc1cc(ccc1O)Cl CHEBI:1800 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.69 Cc1cc(ccc1O)O CHEBI:133842 [2,0,0,0,0,0|0,0,1]=3 49 B9R1.69 Cc1ccc(c(c1)C)C CHEBI:34039 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.69 Cc1ccc(c(c1)C)N CHEBI:27840 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.69 Cc1ccc(c(c1)O)O CHEBI:17254 [2,0,0,0,0,0|0,0,1]=3 52 B9R1.69 Cc1ccc(cc1C)N CHEBI:39901 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.69 Cc1ccc(cc1C)O CHEBI:39839 [2,0,0,0,0,0|1,0,1]=4 54 B9R1.69 c1cc(c(cc1Br)Cl)O CHEBI:38852 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.69 c1cc(c(cc1Cl)Cl)O CHEBI:16738 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.69 c1cc(c(cc1Cl)O)Cl CHEBI:27929 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.69 c1cc(c(cc1Cl)O)N CHEBI:75051 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.69 c1cc(c(cc1Cl)O)O CHEBI:27772 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.69 c1cc(c(cc1O)Cl)O CHEBI:27675 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.69 c1cc(c(cc1O)N)O CHEBI:13769 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.69 c1cc(c(cc1O)O)O CHEBI:16971 [2,0,0,0,0,0|0,0,1]=3 62 B9R1.69 c1cc(nc(c1O)O)O CHEBI:16683 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.1 C=Cc1ccc(cc1)O CHEBI:1883 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.1 CCc1ccc(cc1)O CHEBI:49584 [2,0,0,0,0,0|1,0,1]=4 65 B9R1.1 CNc1ccc(cc1)O CHEBI:55413 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.1 CNc1ccc(cc1)O CHEBI:55416 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 CSc1ccc(cc1)O CHEBI:38862 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.1 Cc1ccc(cc1)C=O CHEBI:28617 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.1 c1cc(ccc1C#N)O CHEBI:38622 [2,0,0,0,0,0|1,0,1]=4 70 B9R1.1 c1cc(ccc1C=O)O CHEBI:17597 [2,0,0,0,0,0|0,0,0]=2 71 B9R1.1 c1cc(ccc1CO)O CHEBI:67410 [2,0,0,0,0,0|0,0,2]=4 72 B11R1.266 CCc1cc(ccn1)C(=O)O CHEBI:74682 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.266 COc1cccc(c1)[N+](=O)[O-] CHEBI:48972 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.266 c1cc(cc(c1)[N+]#N)C(=O)[O-] CHEBI:64438 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.267 COc1cccc(c1O)C=O CHEBI:78339 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.267 COc1cccc(c1O)OC CHEBI:955 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.21 C1=CC(=C[C@H]([C@@H]1O)O)C(=O)O CHEBI:75876 [1,1,0,0,0,0|0,0,2]=4 78 B11R1.21 C1=CC(=C[C@H]([C@@H]1O)O)C(=O)[O-] CHEBI:75717 [1,1,0,0,0,0|0,0,2]=4 79 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [1,1,0,0,0,0|0,0,0]=2 80 B11R1.21 Cc1c(cc(cn1)C(=O)O)O CHEBI:15821 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 Cc1c(cc(cn1)C(=O)[O-])O CHEBI:57528 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.21 Cc1cc(ccc1O)C(=O)O CHEBI:85239 [1,1,0,0,0,0|0,0,0]=2 83 B11R1.21 Cc1ccc(cc1C)C(=O)O CHEBI:64818 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.21 Cc1ccc(cc1C)C(=O)[O-] CHEBI:64820 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.21 Cn1cc(ccc1=O)C(=O)N CHEBI:27410 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl CHEBI:49401 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.21 c1cc(c(cc1C(=O)O)N)O CHEBI:29476 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [1,1,0,0,0,0|0,0,0]=2 89 B11R1.21 c1cc(c(cc1C(=O)[O-])Cl)Cl CHEBI:83287 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.21 c1cc(c(cc1C(=O)[O-])N)O CHEBI:60005 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O CHEBI:36241 [1,1,0,0,0,0|0,0,0]=2 92 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O CHEBI:16318 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)[O-] CHEBI:57730 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.192 Cc1ccc(cc1C)N=C=O CHEBI:60098 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [1,1,0,0,0,0|0,0,0]=2 96 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [1,1,0,0,0,0|0,0,2]=4 98 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [1,1,0,0,0,0|1,0,1]=4 99 B13R1.49 COc1cc(ccc1O)C(=O)OC CHEBI:46477 [0,2,0,0,0,0|0,0,0]=2 100 B13R1.50 COc1cc(ccc1O)S(=O)(=O)O CHEBI:85537 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] CHEBI:32033 [0,2,0,0,0,0|1,0,0]=3 102 B13R1.50 COc1cc(ccc1O)S(=O)(=O)[O-] CHEBI:85539 [0,2,0,0,0,0|1,0,0]=3 103 B13R1.298 COc1cc(cc(c1O)O)C(=O)O CHEBI:28647 [0,2,0,0,0,0|0,0,0]=2 104 B13R1.298 COc1cc(cc(c1O)O)C(=O)[O-] CHEBI:19950 [0,2,0,0,0,0|0,0,0]=2 105 B13R1.3091 CC(=O)c1ccc(c(c1)OC)OC CHEBI:86576 [0,2,0,0,0,0|0,0,0]=2 106 B13R1.3091 CC(c1ccc(c(c1)OC)OC)O CHEBI:86531 [0,2,0,0,0,0|0,0,2]=4 107 B13R1.3091 COc1cc(ccc1[N+]#N)[N+](=O)[O-] CHEBI:87486 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.3091 COc1ccc(cc1OC)C(=O)O CHEBI:296881 [0,2,0,0,0,0|0,0,0]=2 109 B13R1.386 COCc1ccc(c(c1)OC)OC CHEBI:86961 [0,2,0,0,0,0|0,0,2]=4 110 B13R1.386 COc1ccc(cc1OC)CC=C CHEBI:4918 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.386 COc1ccc(cc1OC)CCN CHEBI:136995 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.386 C\C=C/c1ccc(c(c1)OC)OC CHEBI:50550 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:14469 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.386 C\C=C\c1ccc(c(c1)OC)OC CHEBI:6877 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.2900 C\C=C\c1cc(c(cc1C)O)OC CHEBI:59078 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.2900 Cc1cc(c(cc1CC=C)OC)O CHEBI:59072 [0,2,0,0,0,0|1,0,0]=3 117 B13R1.52 COc1cc(ccc1O)CC(=O)O CHEBI:545959 [0,2,0,0,0,0|0,0,0]=2 118 B13R1.52 COc1cc(ccc1O)CC(=O)[O-] CHEBI:133744 [0,2,0,0,0,0|0,0,0]=2 119 B13R1.387 c1cc(c(cc1CC=O)[N+](=O)[O-])O CHEBI:71235 [0,2,0,0,0,0|2,0,0]=4 120 B13R1.575 COc1cc(ccc1O)CCCO CHEBI:4559 [0,2,0,0,0,0|0,0,2]=4 121 B13R1.575 COc1cc(ccc1O)\C=C\C=O CHEBI:16547 [0,2,0,0,0,0|0,0,0]=2 122 B13R1.575 COc1cc(ccc1O)\C=C\CO CHEBI:17745 [0,2,0,0,0,0|0,0,1]=3 123 B13R1.1255 C\C=C\c1ccc(c(c1C)OC)O CHEBI:59083 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.1255 Cc1c(ccc(c1OC)O)CC=C CHEBI:59074 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.4030 C\C=C\c1cc(c(c(c1)OC)O)C CHEBI:59077 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.4030 Cc1cc(cc(c1O)OC)CC=C CHEBI:59060 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.433 COc1cc(cc(c1O)OC)C=O CHEBI:67380 [0,2,0,0,0,0|0,0,0]=2 128 B13R1.433 COc1cc(cc(c1O)OC)CO CHEBI:86948 [0,2,0,0,0,0|0,0,2]=4 129 B13R2.449 C=CCc1ccc2c(c1)OCO2 CHEBI:8994 [0,1,0,1,0,0|1,0,0]=3 130 B13R2.599 COc1cc2c(cc1O)CCC2 CHEBI:86574 [0,1,0,1,0,0|1,0,1]=4