0 B24R3.311572219 Cc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O CHEBI:74776 [0,0,0,0,0,0|1,0,0]=1 1 B24R3.311572219 c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:38747 [0,0,0,0,0,0|0,0,2]=2 2 B24R3.311572219 c1cc(c(cc1C2C(C(c3c(cc(cc3O2)O)O)O)O)O)O CHEBI:15758 [0,0,0,0,0,0|0,0,4]=4 3 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:75747 [0,0,0,0,0,0|0,0,2]=2 4 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:17948 [0,0,0,0,0,0|0,0,2]=2 5 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CHEBI:58329 [0,0,0,0,0,0|0,0,3]=3 6 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H]([C@H](c3c(cc(cc3O2)O)O)O)O)O)O CHEBI:11412 [0,0,0,0,0,0|0,0,4]=4 7 B24R3.311572219 c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:41963 [0,0,0,0,0,0|0,0,2]=2 8 B24R3.311572219 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:32330 [0,0,0,0,0,0|0,0,2]=2 9 B24R3.311572219 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CHEBI:60037 [0,0,0,0,0,0|0,0,3]=3 10 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O CHEBI:16243 [0,0,0,0,0,0|0,0,0]=0 11 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O)O)O CHEBI:57694 [0,0,0,0,0,0|0,0,1]=1 12 B23R3.17086460 c1cc(c(cc1[C@@H]2[C@@H](C(=O)c3ccc(cc3O2)O)O)O)O CHEBI:5202 [1,0,0,0,0,0|0,0,2]=3 13 B23R3.17086460 c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)O)O)O CHEBI:42567 [1,0,0,0,0,0|0,0,0]=1 14 B23R3.17086460 c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)[O-])O)O CHEBI:71992 [1,0,0,0,0,0|0,0,1]=2 15 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:15401 [1,0,0,0,0,0|0,0,2]=3 16 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O CHEBI:57294 [1,0,0,0,0,0|0,0,3]=4 17 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:28499 [1,0,0,0,0,0|0,0,0]=1 18 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O CHEBI:58573 [1,0,0,0,0,0|0,0,1]=2 19 B23R3.184673847 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O CHEBI:90 [1,0,0,0,0,0|0,0,3]=4 20 B23R3.184673847 c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O CHEBI:15600 [1,0,0,0,0,0|0,0,3]=4 21 B23R3.184673847 c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O CHEBI:58994 [1,0,0,0,0,0|0,0,3]=4 22 B23R3.184673847 c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O CHEBI:33992 [1,0,0,0,0,0|0,0,3]=4 23 B23R3.184673847 c1cc(c(cc1[C@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O CHEBI:76125 [1,0,0,0,0,0|0,0,3]=4 24 B23R3.184673847 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O CHEBI:27843 [1,0,0,0,0,0|0,0,1]=2 25 B23R3.184673847 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])[O-])O)O CHEBI:71682 [1,0,0,0,0,0|0,0,3]=4 26 B23R3.184688319 c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:28412 [1,0,0,0,0,0|0,0,2]=3 27 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:15864 [1,0,0,0,0,0|0,0,0]=1 28 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O)O CHEBI:57545 [1,0,0,0,0,0|0,0,1]=2 29 B25R3.11816672 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O CHEBI:16860 [0,1,0,0,0,0|0,0,0]=1 30 B25R3.11816672 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)[O-])O CHEBI:57928 [0,1,0,0,0,0|0,0,1]=2 31 B25R3.11816672 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)CO)O)O CHEBI:67934 [0,1,0,0,0,0|0,0,0]=1 32 B25R3.42836562 Cc1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O CHEBI:8224 [0,1,0,0,0,0|0,0,0]=1 33 B25R3.42836562 c1cc(c(cc1c2c(c(=O)c3c(o2)cc(c(c3O)O)O)O)O)O CHEBI:8695 [0,1,0,0,0,0|0,0,0]=1 34 B25R3.157573357 [*]c1cc(cc(c1[*])[*])c2c(c(=O)c3c(cc(cc3o2)O)[*])O CHEBI:52267 [0,1,0,0,0,0|3,0,0]=4 35 B25R3.157573357 c1c(cc(c(c1O)O)O)C2C(C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28917 [0,1,0,0,0,0|0,0,2]=3 36 B25R3.157573357 c1c(cc(c(c1O)O)O)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28429 [0,1,0,0,0,0|0,0,2]=3 37 B25R3.157573357 c1c(cc(c(c1O)O)O)[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:48027 [0,1,0,0,0,0|0,0,2]=3 38 B25R3.157573357 c1c(cc(c(c1O)O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:18152 [0,1,0,0,0,0|0,0,0]=1 39 B25R3.157573357 c1c(cc(c(c1O)O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CHEBI:58395 [0,1,0,0,0,0|0,0,1]=2 40 B25R3.296046236 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(c(c3O2)O)O)O)O)O)O CHEBI:16965 [0,1,0,0,0,0|0,0,2]=3 41 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)O)O)O)O)O CHEBI:16400 [0,1,0,0,0,0|0,0,0]=1 42 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)O)O)[O-])O)O CHEBI:57759 [0,1,0,0,0,0|0,0,1]=2 43 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)[O-])O)O)O)O CHEBI:77862 [0,1,0,0,0,0|0,0,1]=2 44 B25R3.351843520 COc1cc(cc2c1c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O CHEBI:2945 [0,1,0,0,0,0|0,0,0]=1 45 B25R3.970028913 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)O)O)O CHEBI:74992 [0,1,0,0,0,0|0,0,0]=1 46 B25R3.1196228775 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:67492 [0,1,0,0,0,0|0,0,0]=1 47 B25R3.1229852970 COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:6052 [0,1,0,0,0,0|0,0,0]=1 48 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:10836 [1,0,1,0,0,0|0,0,0]=2 49 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:48967 [1,0,1,0,0,0|0,0,0]=2 50 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O)O CHEBI:77621 [1,0,1,0,0,0|0,0,1]=3 51 B22R3.5321610 c1cc(ccc1[C@@H]2[C@H](C(=O)c3ccc(cc3O2)O)O)O CHEBI:27587 [2,0,0,0,0,0|0,0,2]=4 52 B22R3.11067224 c1cc(c(cc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O)O CHEBI:27725 [2,0,0,0,0,0|0,0,2]=4 53 B22R3.41030782 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O CHEBI:25863 [2,0,0,0,0,0|0,0,1]=3 54 B22R3.41030782 c1cc(ccc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O CHEBI:28510 [2,0,0,0,0,0|0,0,1]=3 55 B22R3.53618968 c1ccc(cc1)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28103 [2,0,0,0,0,0|0,0,2]=4 56 B22R3.53618968 c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:5262 [2,0,0,0,0,0|0,0,0]=2 57 B22R3.98287844 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50202 [2,0,0,0,0,0|0,0,2]=4 58 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:17846 [2,0,0,0,0,0|0,0,2]=4 59 B22R3.98287844 c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50201 [2,0,0,0,0,0|0,0,2]=4 60 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O CHEBI:18388 [2,0,0,0,0,0|0,0,0]=2 61 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O CHEBI:58470 [2,0,0,0,0,0|0,0,1]=3 62 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:37648 [2,0,0,0,0,0|0,0,1]=3 63 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:6584 [2,0,0,0,0,0|0,0,1]=3 64 B24R3.537224535 c1cc2c(cc1O)oc(c(c2=O)O)c3cc(c(c(c3)O)O)O CHEBI:8876 [1,1,0,0,0,0|0,0,0]=2 65 B24R3.2307788 COc1c(=O)c2c(cc(cc2oc1c3ccc(cc3)O)O)O CHEBI:1579 [1,1,0,0,0,0|0,0,0]=2 66 B24R3.13139879 COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:6099 [1,1,0,0,0,0|0,0,0]=2 67 B24R3.13139879 COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CHEBI:58925 [1,1,0,0,0,0|0,0,1]=3 68 B24R3.337787570 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(cc3)O)O CHEBI:80897 [1,1,0,0,0,0|0,0,0]=2 69 B24R3.558339597 c1cc(c(cc1O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:75092 [1,1,0,0,0,0|0,0,0]=2 70 B24R3.37368224 c1cc(c(cc1c2c(cc3c([o+]2)cc(c(c3O)O)O)O)O)O CHEBI:28090 [1,1,0,0,0,0|0,0,1]=3 71 B24R3.489600168 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O CHEBI:28436 [1,1,0,0,0,0|0,0,1]=3 72 B24R3.489600168 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O CHEBI:38701 [1,1,0,0,0,0|0,0,1]=3 73 B24R3.1289225108 COc1cc(ccc1O)c2c(cc3c(cc(cc3[o+]2)O)O)O CHEBI:75033 [1,1,0,0,0,0|0,0,1]=3 74 B24R3.1289225108 COc1cc(ccc1O)c2c(cc3c(cc(cc3[o+]2)O)O)O CHEBI:75314 [1,1,0,0,0,0|0,0,1]=3 75 B24R3.311602189 c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O)O CHEBI:2197 [1,1,0,0,0,0|0,0,0]=2 76 B24R3.311602198 c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O)O CHEBI:5837 [1,1,0,0,0,0|0,0,0]=2 77 B24R3.557722971 c1c(cc(c(c1O)O)O)C2CC(=O)c3c(cc(cc3O2)O)O CHEBI:25882 [1,1,0,0,0,0|0,0,2]=4 78 B24R3.557722971 c1c(cc(c(c1O)O)O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:48026 [1,1,0,0,0,0|0,0,2]=4 79 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:507499 [1,1,0,0,0,0|0,0,0]=2 80 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:60045 [1,1,0,0,0,0|0,0,1]=3 81 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28230 [1,1,0,0,0,0|0,0,2]=4 82 B24R3.1245441990 COc1ccc(cc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:4630 [1,1,0,0,0,0|0,0,0]=2 83 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:74960 [1,1,0,0,0,0|0,0,2]=4 84 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:16514 [1,1,0,0,0,0|0,0,0]=2 85 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57799 [1,1,0,0,0,0|0,0,1]=3 86 B24R3.3360687369 c1c(cc2c(c1O)c(=O)cc(o2)c3cc(c(cc3O)O)O)O CHEBI:6006 [1,1,0,0,0,0|0,0,0]=2 87 B26R3.1021130668 COc1cc(c2c(c1)oc(c(c2=O)OC)c3ccc(c(c3)O)O)O CHEBI:18010 [0,2,0,0,0,0|0,0,0]=2 88 B26R3.1021130668 COc1cc(c2c(c1)oc(c(c2=O)OC)c3ccc(c(c3)O)O)[O-] CHEBI:77710 [0,2,0,0,0,0|0,0,1]=3 89 B26R3.1273541081 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)OC CHEBI:70008 [0,2,0,0,0,0|0,0,0]=2 90 B26R3.2546025 COc1c(cc2c(c1O)C(=O)[C@@H]([C@H](O2)c3ccc(c(c3)O)O)O)O CHEBI:2213 [0,2,0,0,0,0|0,0,2]=4 91 B26R3.2546025 COc1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O CHEBI:75164 [0,2,0,0,0,0|0,0,0]=2 92 B26R3.260363328 COc1cc(cc(c1O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:31763 [0,2,0,0,0,0|0,0,0]=2 93 B26R3.260363328 COc1cc(cc(c1O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CHEBI:60006 [0,2,0,0,0,0|0,0,1]=3 94 B26R3.13927573 COc1c(cc(c2c1oc(c(c2=O)O)c3ccc(c(c3)O)O)O)O CHEBI:28018 [0,2,0,0,0,0|0,0,0]=2 95 B26R3.13927573 COc1c(cc(c2c1oc(c(c2=O)[O-])c3ccc(c(c3)O)O)O)O CHEBI:58544 [0,2,0,0,0,0|0,0,1]=3 96 B26R3.1021130670 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)OC)O)O CHEBI:133721 [0,2,0,0,0,0|0,0,0]=2 97 B26R3.2137914708 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)OC)O)O CHEBI:67493 [0,2,0,0,0,0|0,0,0]=2 98 B24R3.37531928 c1cc(c(cc1CC2(C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:69013 [0,0,1,1,0,0|0,0,2]=4 99 B26R4.375029007 c1cc(c(c2c1-c3c(c(=O)c4c(cc(cc4o3)O)O)OC2)O)O CHEBI:66823 [0,1,0,1,0,0|0,0,0]=2