0 B21R3.41307345 c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28157 [0,0,0,0,0,0|0,0,2]=2 1 B21R3.41307345 c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:75095 [0,0,0,0,0,0|0,0,0]=0 2 B20R3.277426 c1ccc(cc1)C2CC(=O)c3ccc(cc3O2)O CHEBI:34483 [1,0,0,0,0,0|0,0,2]=3 3 B20R3.277426 c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O CHEBI:41888 [1,0,0,0,0,0|0,0,2]=3 4 B20R3.277426 c1ccc(cc1)[C@H]2CC(=O)c3ccc(cc3O2)O CHEBI:48020 [1,0,0,0,0,0|0,0,2]=3 5 B22R3.2846088 Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c3ccccc3)O CHEBI:9292 [0,1,0,0,0,0|0,0,2]=3 6 B22R3.2846088 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O CHEBI:2979 [0,1,0,0,0,0|0,0,0]=1 7 B22R3.2846088 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)[O-] CHEBI:78324 [0,1,0,0,0,0|0,0,1]=2 8 B22R3.53618968 c1ccc(cc1)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28103 [0,1,0,0,0,0|0,0,2]=3 9 B22R3.53618968 c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:5262 [0,1,0,0,0,0|0,0,0]=1 10 B22R3.78129056 Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O CHEBI:70663 [0,1,0,0,0,0|0,0,2]=3 11 B22R3.78129056 c1ccc(cc1)c2cc(=O)c3c(cc(c(c3o2)O)O)O CHEBI:7642 [0,1,0,0,0,0|0,0,0]=1 12 B22R3.98287844 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50202 [0,1,0,0,0,0|0,0,2]=3 13 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:17846 [0,1,0,0,0,0|0,0,2]=3 14 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O)O CHEBI:58292 [0,1,0,0,0,0|0,0,3]=4 15 B22R3.98287844 c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50201 [0,1,0,0,0,0|0,0,2]=3 16 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O CHEBI:18388 [0,1,0,0,0,0|0,0,0]=1 17 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O CHEBI:58470 [0,1,0,0,0,0|0,0,1]=2 18 B22R3.121441578 COc1cc(c2c(=O)cc(oc2c1)c3ccccc3)O CHEBI:9426 [0,1,0,0,0,0|0,0,0]=1 19 B22R3.121441578 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccccc3)O CHEBI:80491 [0,1,0,0,0,0|0,0,2]=3 20 B20R2.23087 c1ccc(cc1)\C=C\C(=O)c2c(cc(cc2O)O)O CHEBI:80484 [0,0,1,0,0,0|0,0,0]=1 21 B19R3.9171 c1ccc(cc1)C2CC(=O)c3ccccc3O2 CHEBI:5070 [2,0,0,0,0,0|0,0,2]=4 22 B19R3.9171 c1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2 CHEBI:15606 [2,0,0,0,0,0|0,0,2]=4 23 B19R3.9171 c1ccc(cc1)[C@H]2CC(=O)c3ccccc3O2 CHEBI:36105 [2,0,0,0,0,0|0,0,2]=4 24 B19R3.9171 c1ccc(cc1)c2cc(=O)c3ccccc3o2 CHEBI:42491 [2,0,0,0,0,0|0,0,0]=2 25 B21R2.15581 COc1cc(c(c(c1)O)C(=O)CCc2ccccc2)O CHEBI:28523 [0,1,1,0,0,0|0,0,2]=4 26 B21R2.362231 c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O CHEBI:17276 [0,1,1,0,0,0|0,0,2]=4 27 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2O)O)O)O CHEBI:15413 [0,1,1,0,0,0|0,0,0]=2 28 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O CHEBI:77645 [0,1,1,0,0,0|0,0,1]=3 29 B21R2.97296 c1cc(ccc1C(=O)CC(=O)c2ccc(cc2O)O)O CHEBI:18131 [0,1,1,0,0,0|0,0,2]=4 30 B21R2.97296 c1cc(ccc1C(=O)CC(=O)c2ccc(cc2O)O)[O-] CHEBI:77711 [0,1,1,0,0,0|0,0,2]=4 31 B21R3.434484 c1ccc(cc1)c2cc(=O)c3c(ccc(c3o2)O)O CHEBI:8410 [1,1,0,0,0,0|0,0,0]=2 32 B21R3.649532 c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O CHEBI:28777 [1,1,0,0,0,0|0,0,2]=4 33 B21R3.649532 c1cc(ccc1c2cc(=O)c3ccc(cc3o2)O)O CHEBI:29503 [1,1,0,0,0,0|0,0,0]=2 34 B21R3.7157819 c1ccc(cc1)C2CC(=O)c3ccc(c(c3O2)O)O CHEBI:65787 [1,1,0,0,0,0|0,0,2]=4 35 B23R3.761346 Cc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccccc3)C)O CHEBI:70664 [0,2,0,0,0,0|0,0,2]=4 36 B23R3.2128607 COc1c(cc2c(c1O)C(=O)CC(O2)c3ccccc3)O CHEBI:67376 [0,2,0,0,0,0|0,0,2]=4 37 B23R3.2128607 COc1c(cc2c(c1O)c(=O)cc(o2)c3ccccc3)O CHEBI:61668 [0,2,0,0,0,0|0,0,0]=2 38 B23R3.2128607 COc1c(cc2c(c1O)c(=O)cc(o2)c3ccccc3)[O-] CHEBI:77939 [0,2,0,0,0,0|0,0,1]=3 39 B23R3.71772102 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(c(c3O)O)O)O2)O CHEBI:80809 [0,2,0,0,0,0|0,0,2]=4 40 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O CHEBI:9062 [0,2,0,0,0,0|0,0,0]=2 41 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)[O-])O CHEBI:78328 [0,2,0,0,0,0|0,0,1]=3 42 B23R3.27928597 Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)OC)O CHEBI:70662 [0,2,0,0,0,0|0,0,2]=4 43 B23R3.28411805 COc1cc2c(c(=O)cc(o2)c3ccccc3)c(c1)OC CHEBI:3684 [0,2,0,0,0,0|0,0,0]=2 44 B23R3.71361071 c1c(cc(cc1O)O)C2CC(=O)c3c(cc(cc3O2)O)O CHEBI:67494 [0,2,0,0,0,0|0,0,2]=4 45 B23R3.184688319 c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:28412 [0,2,0,0,0,0|0,0,2]=4 46 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:15864 [0,2,0,0,0,0|0,0,0]=2 47 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O)O CHEBI:57545 [0,2,0,0,0,0|0,0,1]=3 48 B23R3.76201222 Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3O)O)O CHEBI:67364 [0,2,0,0,0,0|0,0,2]=4 49 B23R3.87754748 c1ccc(c(c1)c2c(c(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:75107 [0,2,0,0,0,0|0,0,0]=2 50 B23R3.2166815 COc1c(=O)c2c(cc(cc2oc1c3ccccc3)O)O CHEBI:1602 [0,2,0,0,0,0|0,0,0]=2 51 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:15401 [0,2,0,0,0,0|0,0,2]=4 52 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:28499 [0,2,0,0,0,0|0,0,0]=2 53 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O CHEBI:58573 [0,2,0,0,0,0|0,0,0]=2 54 B23R3.6468498 COc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)O CHEBI:10043 [0,2,0,0,0,0|0,0,0]=2 55 B23R3.6468498 COc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)[O-] CHEBI:78338 [0,2,0,0,0,0|0,0,1]=3 56 B23R3.184487127 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O CHEBI:6059 [0,2,0,0,0,0|0,0,0]=2 57 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:27552 [0,2,0,0,0,0|0,0,2]=4 58 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:15335 [0,2,0,0,0,0|0,0,0]=2 59 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57284 [0,2,0,0,0,0|0,0,1]=3 60 B23R3.199765921 COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O CHEBI:75718 [0,2,0,0,0,0|0,0,0]=2 61 B23R3.199765921 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O CHEBI:28927 [0,2,0,0,0,0|0,0,2]=4 62 B21R3.7123795 c1cc(c2c(c1O)c(=O)c3c(cc(cc3o2)O)O)O CHEBI:65480 [0,0,1,1,0,0|2,0,0]=4