0 B23R3.184688319 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3 T6S0232 [0,0,0,0,0,0|0,0,0]=0 1 B23R3.184688319 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 T1027 [0,0,0,0,0,0|0,0,2]=2 2 B22R3.11067224 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 T10637 [1,0,0,0,0,0|0,0,0]=1 3 B22R3.11067224 Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3 TN1461 [1,0,0,0,0,0|0,0,0]=1 4 B22R3.11067224 Oc1ccc2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 TN3209 [1,0,0,0,0,0|0,0,2]=3 5 B22R3.15280887 Oc1cc(O)c2ccc([o+]c2c1)-c3ccc(O)c(O)c3 TN1895 [1,0,0,0,0,0|0,0,3]=4 6 B22R3.98287844 Oc1ccc(C2CC(=O)c3c(O2)cc(cc3O)O)cc1 TMS2171 [1,0,0,0,0,0|0,0,0]=1 7 B22R3.98287844 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T2175 [1,0,0,0,0,0|0,0,2]=3 8 B22R3.98287844 Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T2838 [1,0,0,0,0,0|0,0,0]=1 9 B24R3.45751963 COc1cc(O)cc2oc(cc(=O)c12)-c3ccc(O)c(O)c3 TN5506 [0,1,0,0,0,0|0,0,2]=3 10 B24R3.311572219 C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O T4652 [0,1,0,0,0,0|0,0,0]=1 11 B24R3.311572219 OC1C(O)c2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3 T32665 [0,1,0,0,0,0|0,0,2]=3 12 B24R3.311572219 O[C@@H]1C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 T1738 [0,1,0,0,0,0|0,0,0]=1 13 B24R3.311572219 Oc1cc(O)c2c(c1)oc(-c3ccc(O)c(O)c3)c(O)c2=O T2174 [0,1,0,0,0,0|0,0,2]=3 14 B24R3.311572219 Oc1cc(O)c2c(c1)oc(-c3ccc(O)c(O)c3)c(O)c2=O T6630 [0,1,0,0,0,0|0,0,2]=3 15 B24R3.337791963 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 TN3243 [0,1,0,0,0,0|0,0,0]=1 16 B24R3.557722971 Oc1cc(O)c2c(c1)oc(cc2=O)-c3cc(O)c(O)c(O)c3 TN5171 [0,1,0,0,0,0|0,0,2]=3 17 B24R3.1245441990 COc1ccc(cc1O)-c2cc(=O)c3c(O)cc(O)cc3o2 T1704 [0,1,0,0,0,0|0,0,2]=3 18 B24R3.1245441990 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 T12667 [0,1,0,0,0,0|0,0,0]=1 19 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T2565 [0,1,0,0,0,0|0,0,0]=1 20 B24R3.1289013967 COc1cc(ccc1O)-c2cc(=O)c3c(O)cc(O)cc3o2 TN1490 [0,1,0,0,0,0|0,0,2]=3 21 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 TN1740 [0,1,0,0,0,0|0,0,0]=1 22 B22R2.8237677 Oc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 TN3987 [0,0,1,0,0,0|0,0,2]=3 23 B21R2.97296 Oc1ccc(cc1)C(=O)CC(=O)c2ccc(O)cc2O T32743 [1,0,1,0,0,0|0,0,2]=4 24 B21R2.4619134 Oc1ccc(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 T6427 [1,0,1,0,0,0|0,0,2]=4 25 B21R2.362231 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 T2S2173 [1,0,1,0,0,0|0,0,2]=4 26 B21R2.362231 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 T2924 [1,0,1,0,0,0|0,0,0]=2 27 B21R3.654077 Oc1ccc(cc1O)-c2cc(=O)c3ccccc3o2 T8245 [2,0,0,0,0,0|0,0,2]=4 28 B21R3.50471385 Oc1ccc(cc1)-c2cc(=O)c3c(O)cccc3o2 T8260 [2,0,0,0,0,0|0,0,2]=4 29 B21R3.50471385 Oc1ccc(cc1)C2Cc3cccc(O)c3C(=O)O2 TN4234 [2,0,0,0,0,0|2,0,0]=4 30 B21R3.649532 Oc1ccc(cc1)-c2cc(=O)c3ccc(O)cc3o2 TN1273 [2,0,0,0,0,0|0,0,2]=4 31 B21R3.649532 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2 T3325 [2,0,0,0,0,0|0,0,0]=2 32 B21R3.41307345 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 TN2077 [2,0,0,0,0,0|0,0,0]=2 33 B21R3.41307345 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 T2992 [2,0,0,0,0,0|0,0,0]=2 34 B21R3.41307345 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccccc3 T2837 [2,0,0,0,0,0|0,0,2]=4 35 B23R3.17086460 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3 TN1653 [1,1,0,0,0,0|0,0,0]=2 36 B23R3.17086460 c1cc(c(cc1c2c(c(=O)c3c(o2)cc(cc3)O)O)O)O T2879 [1,1,0,0,0,0|0,0,2]=4 37 B23R3.24435957 O=C1CC(C2=CC=C(O)C(O)=C2)OC3=C(O)C(O)=CC=C13 TN6769 [1,1,0,0,0,0|0,0,0]=2 38 B23R3.24435957 Oc1ccc(cc1O)-c2cc(=O)c3ccc(O)c(O)c3o2 TN2868 [1,1,0,0,0,0|0,0,2]=4 39 B23R3.24435957 Oc1ccc(cc1O)[C@@H]2CC(=O)c3ccc(O)c(O)c3O2 TN1788 [1,1,0,0,0,0|0,0,0]=2 40 B23R3.137614192 Oc1ccc2C(=O)C[C@H](Oc2c1)c3cc(O)c(O)c(O)c3 TN4916 [1,1,0,0,0,0|0,0,0]=2 41 B23R3.184684647 Oc1ccc(cc1O)[C@@H]2CC(=O)c3cc(O)c(O)cc3O2 TN4802 [1,1,0,0,0,0|0,0,0]=2 42 B23R3.184673847 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 T2856 [1,1,0,0,0,0|0,0,1]=3 43 B23R3.184673847 O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c3ccc(O)c(O)c3 T13597 [1,1,0,0,0,0|0,0,1]=3 44 B23R3.184673847 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3 T2778 [1,1,0,0,0,0|0,0,1]=3 45 B23R3.184673847 O[C@H]1Cc2c(O[C@@H]1c3ccc(c(c3)O)O)cc(cc2O)O T8255 [1,1,0,0,0,0|0,0,1]=3 46 B23R3.184673847 [C@H]1([C@H](Cc2c(cc(cc2O1)O)O)O)c3cc(c(cc3)O)O T0822 [1,1,0,0,0,0|0,0,1]=3 47 B23R3.9068341 COc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T3981 [1,1,0,0,0,0|0,0,2]=4 48 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T5S0229 [1,1,0,0,0,0|0,0,0]=2 49 B23R3.29715607 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccc(O)cc3 TN3135 [1,1,0,0,0,0|0,0,0]=2 50 B23R3.29715607 COc1cc(O)cc2oc(cc(=O)c12)-c3ccc(O)cc3 T13922 [1,1,0,0,0,0|0,0,2]=4 51 B23R3.71745916 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 TN1406 [1,1,0,0,0,0|0,0,0]=2 52 B23R3.71745916 Oc1ccc(cc1)-c2oc3cc(O)cc(O)c3c(=O)c2O T2177 [1,1,0,0,0,0|0,0,2]=4 53 B23R3.71772102 Cc1c(O)c2C(CC(c3ccc(cc3)O)Oc2cc1O)=O TN4818 [1,1,0,0,0,0|0,0,0]=2 54 B23R3.71772102 Oc1ccc(cc1)-c2cc(=O)c3c(O)c(O)c(O)cc3o2 T3319 [1,1,0,0,0,0|0,0,2]=4 55 B23R3.184487127 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)cc3 TN1288 [1,1,0,0,0,0|0,0,0]=2 56 B23R3.184487127 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)c(O)c3o2 TN2353 [1,1,0,0,0,0|0,0,2]=4 57 B23R3.199765921 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3 TN1126 [1,1,0,0,0,0|0,0,0]=2 58 B23R3.199765921 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)cc3 T6S0095 [1,1,0,0,0,0|0,0,2]=4 59 B23R3.422001140 Oc1ccc(cc1)C2(O)CC(=O)c3c(O)cc(O)cc3O2 TN2769 [1,1,0,0,0,0|0,0,0]=2 60 B25R3.341067810 COc1cc(OC)c2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 TN6552 [0,2,0,0,0,0|0,0,2]=4 61 B25R3.351802195 COc1cc(ccc1O)-c2cc(=O)c3c(OC)cc(O)cc3o2 TN5508 [0,2,0,0,0,0|0,0,2]=4 62 B25R3.351843520 COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12 TN1418 [0,2,0,0,0,0|0,0,2]=4 63 B25R3.11816672 COc1c(oc2cc(O)cc(O)c2c1=O)-c3ccc(O)c(O)c3 TN1266 [0,2,0,0,0,0|0,0,2]=4 64 B25R3.42836562 Cc1c(O)cc2O[C@H]([C@H](O)C(=O)c2c1O)c3ccc(O)c(O)c3 TN3615 [0,2,0,0,0,0|0,0,0]=2 65 B25R3.42836562 Oc1ccc(cc1O)-c2oc3cc(O)c(O)c(O)c3c(=O)c2O T8114 [0,2,0,0,0,0|0,0,2]=4 66 B25R3.157573357 OC1C(O)c2c(O)cc(O)cc2OC1c3cc(O)c(O)c(O)c3 T32679 [0,2,0,0,0,0|0,0,2]=4 67 B25R3.157573357 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3 T2998 [0,2,0,0,0,0|0,0,0]=2 68 B25R3.157573357 Oc1cc(O)c2c(c1)oc(-c3cc(O)c(O)c(O)c3)c(O)c2=O T0579 [0,2,0,0,0,0|0,0,2]=4 69 B25R3.296046236 Oc1ccc(cc1O)-c2oc3c(O)c(O)cc(O)c3c(=O)c2O TN1711 [0,2,0,0,0,0|0,0,2]=4 70 B25R3.970028913 COc1cc(O)c2c(c1)oc(-c3ccc(O)c(O)c3)c(O)c2=O TN1419 [0,2,0,0,0,0|0,0,2]=4 71 B25R3.970028913 COc1cc2O[C@@H]([C@H](C(=O)c2c(O)c1)O)c3ccc(c(c3)O)O TN2033 [0,2,0,0,0,0|0,0,0]=2 72 B25R3.1196228775 COc1ccc(cc1O)-c2oc3cc(O)cc(O)c3c(=O)c2O TN1039 [0,2,0,0,0,0|0,0,2]=4 73 B25R3.1196228775 COc1ccc(cc1O)[C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O TN3867 [0,2,0,0,0,0|0,0,0]=2 74 B25R3.1229852970 COc1cc(ccc1O)-c2oc3cc(O)cc(O)c3c(=O)c2O T2836 [0,2,0,0,0,0|0,0,2]=4 75 B25R3.10796687 COc1c(O)cc2oc(cc(=O)c2c1O)-c3ccc(O)c(O)c3 TN1154 [0,2,0,0,0,0|0,0,2]=4 76 B25R3.113334912 COc1cc2oc(cc(=O)c2c(O)c1O)-c3ccc(O)c(O)c3 TMA2563 [0,2,0,0,0,0|0,0,2]=4 77 B25R3.970044825 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(OC)c3 TN3986 [0,2,0,0,0,0|0,0,0]=2 78 B25R3.970044825 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)c(OC)c3 T3816 [0,2,0,0,0,0|0,0,2]=4 79 B25R3.1196288656 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(OC)c(O)c3 TN2058 [0,2,0,0,0,0|0,0,0]=2 80 B25R3.1196288656 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(OC)c(O)c3 TN2073 [0,2,0,0,0,0|0,0,2]=4 81 B25R3.1196100423 COc1ccc(cc1OC)-c2cc(=O)c3c(O)cc(O)cc3o2 T10163 [0,2,0,0,0,0|0,0,2]=4 82 B23R3.24513547 O=C/1C=2C(O\C1=C/C3=CC(O)=C(O)C=C3)=CC(O)=CC2O TN5634 [0,0,1,1,0,0|0,0,2]=4 83 B23R3.71761172 Oc1ccc(Oc2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN3819 [1,0,0,0,0,1|0,0,2]=4 84 B23R3.24536673 Oc1cc(O)c2c(c1)occ(-c3ccc(O)c(O)c3)c2=O TN2019 [0,0,0,0,1,1|0,0,1]=3