0 B23R3.184688319 c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:28412 [0,0,0,0,0,0|0,0,2]=2 1 B23R3.184688319 c1cc(c(cc1[C@@H]2CC(c3c(cc(cc3O2)O)O)O)O)O CHEBI:27686 [0,0,0,0,0,0|0,0,4]=4 2 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:15864 [0,0,0,0,0,0|0,0,0]=0 3 B23R3.184688319 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O)O CHEBI:57545 [0,0,0,0,0,0|0,0,1]=1 4 B22R3.11067224 c1cc(c(cc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O)O CHEBI:27725 [1,0,0,0,0,0|0,0,2]=3 5 B22R3.15280887 c1cc(c(cc1[C@@H]2CCc3c(cc(cc3O2)O)O)O)O CHEBI:29620 [1,0,0,0,0,0|0,0,3]=4 6 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:37648 [1,0,0,0,0,0|0,0,1]=2 7 B22R3.15280887 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CHEBI:6584 [1,0,0,0,0,0|0,0,1]=2 8 B22R3.98287844 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50202 [1,0,0,0,0,0|0,0,2]=3 9 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:17846 [1,0,0,0,0,0|0,0,2]=3 10 B22R3.98287844 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O)O CHEBI:58292 [1,0,0,0,0,0|0,0,3]=4 11 B22R3.98287844 c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O CHEBI:50201 [1,0,0,0,0,0|0,0,2]=3 12 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O CHEBI:18388 [1,0,0,0,0,0|0,0,0]=1 13 B22R3.98287844 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O CHEBI:58470 [1,0,0,0,0,0|0,0,1]=2 14 B24R3.311572219 Cc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O CHEBI:74776 [0,1,0,0,0,0|0,0,0]=1 15 B24R3.311572219 c1cc(c(cc1C2C(C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:38747 [0,1,0,0,0,0|0,0,2]=3 16 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:75747 [0,1,0,0,0,0|0,0,2]=3 17 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:17948 [0,1,0,0,0,0|0,0,2]=3 18 B24R3.311572219 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CHEBI:58329 [0,1,0,0,0,0|0,0,3]=4 19 B24R3.311572219 c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:41963 [0,1,0,0,0,0|0,0,2]=3 20 B24R3.311572219 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O CHEBI:32330 [0,1,0,0,0,0|0,0,2]=3 21 B24R3.311572219 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CHEBI:60037 [0,1,0,0,0,0|0,0,3]=4 22 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O)O CHEBI:16243 [0,1,0,0,0,0|0,0,0]=1 23 B24R3.311572219 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O)O)O CHEBI:57694 [0,1,0,0,0,0|0,0,1]=2 24 B24R3.311602189 c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O)O CHEBI:2197 [0,1,0,0,0,0|0,0,0]=1 25 B24R3.311602198 c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O)O CHEBI:5837 [0,1,0,0,0,0|0,0,0]=1 26 B24R3.557722971 c1c(cc(c(c1O)O)O)C2CC(=O)c3c(cc(cc3O2)O)O CHEBI:25882 [0,1,0,0,0,0|0,0,2]=3 27 B24R3.557722971 c1c(cc(c(c1O)O)O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:48026 [0,1,0,0,0,0|0,0,2]=3 28 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:507499 [0,1,0,0,0,0|0,0,0]=1 29 B24R3.557722971 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:60045 [0,1,0,0,0,0|0,0,1]=2 30 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28230 [0,1,0,0,0,0|0,0,2]=3 31 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O CHEBI:61249 [0,1,0,0,0,0|0,0,3]=4 32 B24R3.1245441990 COc1ccc(cc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:4630 [0,1,0,0,0,0|0,0,0]=1 33 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:74960 [0,1,0,0,0,0|0,0,2]=3 34 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:16514 [0,1,0,0,0,0|0,0,0]=1 35 B24R3.1289013967 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57799 [0,1,0,0,0,0|0,0,1]=2 36 B24R3.3360687369 c1c(cc2c(c1O)c(=O)cc(o2)c3cc(c(cc3O)O)O)O CHEBI:6006 [0,1,0,0,0,0|0,0,0]=1 37 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:10836 [0,0,1,0,0,0|0,0,0]=1 38 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2O)O)O)O)O CHEBI:48967 [0,0,1,0,0,0|0,0,0]=1 39 B22R2.8237677 c1cc(c(cc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O)O CHEBI:77621 [0,0,1,0,0,0|0,0,1]=2 40 B21R2.97296 c1cc(ccc1C(=O)CC(=O)c2ccc(cc2O)O)O CHEBI:18131 [1,0,1,0,0,0|0,0,2]=4 41 B21R2.4619134 c1cc(c(cc1\C=C\C(=O)c2ccc(cc2O)O)O)O CHEBI:3237 [1,0,1,0,0,0|0,0,0]=2 42 B21R2.362231 c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O CHEBI:17276 [1,0,1,0,0,0|0,0,2]=4 43 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2O)O)O)O CHEBI:15413 [1,0,1,0,0,0|0,0,0]=2 44 B21R2.362231 c1cc(ccc1\C=C\C(=O)c2c(cc(cc2[O-])O)O)O CHEBI:77645 [1,0,1,0,0,0|0,0,1]=3 45 B21R3.649532 c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O CHEBI:28777 [2,0,0,0,0,0|0,0,2]=4 46 B21R3.649532 c1cc(ccc1c2cc(=O)c3ccc(cc3o2)O)O CHEBI:29503 [2,0,0,0,0,0|0,0,0]=2 47 B21R3.41307345 c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:28157 [2,0,0,0,0,0|0,0,2]=4 48 B21R3.41307345 c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:75095 [2,0,0,0,0,0|0,0,0]=2 49 B23R2.11880080 c1cc(c(cc1C(=O)Oc2cc(cc(c2C(=O)O)O)O)O)O CHEBI:16068 [0,1,1,0,0,0|1,0,0]=3 50 B23R2.11880080 c1cc(c(cc1C(=O)Oc2cc(cc(c2C(=O)[O-])O)O)O)O CHEBI:57628 [0,1,1,0,0,0|1,0,0]=3 51 B23R2.3384767 COc1cc(ccc1O)\C=C\C(=O)c2c(cc(cc2O)O)O CHEBI:80485 [0,1,1,0,0,0|0,0,0]=2 52 B23R3.4391794 COc1cc(ccc1O)c2cc(=O)c3ccc(cc3o2)O CHEBI:5326 [1,1,0,0,0,0|0,0,0]=2 53 B23R3.17086460 c1cc(c(cc1[C@@H]2[C@@H](C(=O)c3ccc(cc3O2)O)O)O)O CHEBI:5202 [1,1,0,0,0,0|0,0,2]=4 54 B23R3.17086460 c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)O)O)O CHEBI:42567 [1,1,0,0,0,0|0,0,0]=2 55 B23R3.17086460 c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)[O-])O)O CHEBI:71992 [1,1,0,0,0,0|0,0,0]=2 56 B23R3.184673847 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O CHEBI:27843 [1,1,0,0,0,0|0,0,1]=3 57 B23R3.184673847 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])[O-])O)O CHEBI:71682 [1,1,0,0,0,0|0,0,2]=4 58 B23R3.71361071 c1c(cc(cc1O)O)C2CC(=O)c3c(cc(cc3O2)O)O CHEBI:67494 [1,1,0,0,0,0|0,0,2]=4 59 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O CHEBI:27552 [1,1,0,0,0,0|0,0,2]=4 60 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:15335 [1,1,0,0,0,0|0,0,0]=2 61 B23R3.9068341 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:57284 [1,1,0,0,0,0|0,0,1]=3 62 B23R3.71745916 c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:15401 [1,1,0,0,0,0|0,0,2]=4 63 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)O)O CHEBI:28499 [1,1,0,0,0,0|0,0,0]=2 64 B23R3.71745916 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O CHEBI:58573 [1,1,0,0,0,0|0,0,0]=2 65 B23R3.71772102 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(c(c3O)O)O)O2)O CHEBI:80809 [1,1,0,0,0,0|0,0,2]=4 66 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O CHEBI:9062 [1,1,0,0,0,0|0,0,0]=2 67 B23R3.71772102 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)[O-])O CHEBI:78328 [1,1,0,0,0,0|0,0,1]=3 68 B23R3.184487127 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)O)O)O)O CHEBI:6059 [1,1,0,0,0,0|0,0,0]=2 69 B23R3.199765921 COc1cc(c2c(=O)cc(oc2c1)c3ccc(cc3)O)O CHEBI:75718 [1,1,0,0,0,0|0,0,0]=2 70 B23R3.199765921 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O CHEBI:28927 [1,1,0,0,0,0|0,0,2]=4 71 B25R3.351802195 COc1cc(ccc1O)c2cc(=O)c3c(o2)cc(cc3OC)O CHEBI:69455 [0,2,0,0,0,0|0,0,0]=2 72 B25R3.351843520 COc1cc(cc2c1c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O CHEBI:2945 [0,2,0,0,0,0|0,0,0]=2 73 B25R3.11816672 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)O)O CHEBI:16860 [0,2,0,0,0,0|0,0,0]=2 74 B25R3.11816672 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)[O-])O CHEBI:57928 [0,2,0,0,0,0|0,0,1]=3 75 B25R3.11816672 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)CO)O)O CHEBI:67934 [0,2,0,0,0,0|0,0,0]=2 76 B25R3.42836562 Cc1c(cc2c(c1O)c(=O)c(c(o2)c3ccc(c(c3)O)O)O)O CHEBI:8224 [0,2,0,0,0,0|0,0,0]=2 77 B25R3.42836562 c1cc(c(cc1c2c(c(=O)c3c(o2)cc(c(c3O)O)O)O)O)O CHEBI:8695 [0,2,0,0,0,0|0,0,0]=2 78 B25R3.157573357 c1c(cc(c(c1O)O)O)C2C(C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28917 [0,2,0,0,0,0|0,0,2]=4 79 B25R3.157573357 c1c(cc(c(c1O)O)O)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:28429 [0,2,0,0,0,0|0,0,2]=4 80 B25R3.157573357 c1c(cc(c(c1O)O)O)[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O CHEBI:48027 [0,2,0,0,0,0|0,0,2]=4 81 B25R3.157573357 c1c(cc(c(c1O)O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:18152 [0,2,0,0,0,0|0,0,0]=2 82 B25R3.157573357 c1c(cc(c(c1O)O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CHEBI:58395 [0,2,0,0,0,0|0,0,0]=2 83 B25R3.296046236 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(c(c3O2)O)O)O)O)O)O CHEBI:16965 [0,2,0,0,0,0|0,0,2]=4 84 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)O)O)O)O)O CHEBI:16400 [0,2,0,0,0,0|0,0,0]=2 85 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)O)O)[O-])O)O CHEBI:57759 [0,2,0,0,0,0|0,0,0]=2 86 B25R3.296046236 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)[O-])O)O)O)O CHEBI:77862 [0,2,0,0,0,0|0,0,1]=3 87 B25R3.970028913 COc1cc(c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)O)O)O CHEBI:74992 [0,2,0,0,0,0|0,0,0]=2 88 B25R3.1196228775 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:67492 [0,2,0,0,0,0|0,0,0]=2 89 B25R3.1229852970 COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)O CHEBI:6052 [0,2,0,0,0,0|0,0,0]=2 90 B25R3.113334912 COc1cc2c(c(=O)cc(o2)c3ccc(c(c3)O)O)c(c1O)O CHEBI:7947 [0,2,0,0,0,0|0,0,0]=2 91 B25R3.221954868 COc1cc(cc(c1O)O)c2cc(=O)c3c(cc(cc3o2)O)O CHEBI:59976 [0,2,0,0,0,0|0,0,0]=2 92 B25R3.221954868 COc1cc(cc(c1O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CHEBI:60014 [0,2,0,0,0,0|0,0,1]=3 93 B23R3.24513547 c1cc(c(cc1\C=C/2\C(=O)c3c(cc(cc3O2)O)O)O)O CHEBI:18149 [0,0,1,1,0,0|0,0,0]=2 94 B23R3.24513547 c1cc(c(cc1\C=C/2\C(=O)c3c(cc(cc3O2)[O-])O)O)O CHEBI:58393 [0,0,1,1,0,0|0,0,1]=3 95 B23R3.24536673 c1cc(c(cc1c2coc3cc(cc(c3c2=O)O)O)O)O CHEBI:69437 [0,0,0,0,1,1|0,0,0]=2