0 B22R3.98287844 Oc1ccc(C2CC(=O)c3c(O2)cc(cc3O)O)cc1 TMS2171 [0,0,0,0,0,0|0,0,2]=2 1 B22R3.98287844 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T2175 [0,0,0,0,0,0|0,0,0]=0 2 B22R3.98287844 Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T2838 [0,0,0,0,0,0|0,0,2]=2 3 B21R3.649532 Oc1ccc(cc1)-c2cc(=O)c3ccc(O)cc3o2 TN1273 [1,0,0,0,0,0|0,0,0]=1 4 B21R3.649532 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2 T3325 [1,0,0,0,0,0|0,0,2]=3 5 B21R3.41307345 Cc1cc(O)cc2oc(cc(=O)c12)-c3ccccc3 TN3233 [1,0,0,0,0,0|1,0,0]=2 6 B21R3.41307345 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 TN2077 [1,0,0,0,0,0|0,0,2]=3 7 B21R3.41307345 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 T2992 [1,0,0,0,0,0|0,0,2]=3 8 B21R3.41307345 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccccc3 T2837 [1,0,0,0,0,0|0,0,0]=1 9 B21R3.50471385 Oc1ccc(cc1)-c2cc(=O)c3c(O)cccc3o2 T8260 [1,0,0,0,0,0|0,0,0]=1 10 B21R3.50471385 Oc1ccc(cc1)C2Cc3cccc(O)c3C(=O)O2 TN4234 [1,0,0,0,0,0|2,0,1]=4 11 B23R3.9068341 COc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T3981 [0,1,0,0,0,0|0,0,0]=1 12 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T5S0229 [0,1,0,0,0,0|0,0,2]=3 13 B23R3.29715607 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccc(O)cc3 TN3135 [0,1,0,0,0,0|0,0,2]=3 14 B23R3.29715607 COc1cc(O)cc2oc(cc(=O)c12)-c3ccc(O)cc3 T13922 [0,1,0,0,0,0|0,0,0]=1 15 B23R3.71745916 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 TN1406 [0,1,0,0,0,0|0,0,2]=3 16 B23R3.71745916 Oc1ccc(cc1)-c2oc3cc(O)cc(O)c3c(=O)c2O T2177 [0,1,0,0,0,0|0,0,0]=1 17 B23R3.71772102 Cc1c(O)c2C(CC(c3ccc(cc3)O)Oc2cc1O)=O TN4818 [0,1,0,0,0,0|0,0,2]=3 18 B23R3.71772102 Oc1ccc(cc1)-c2cc(=O)c3c(O)c(O)c(O)cc3o2 T3319 [0,1,0,0,0,0|0,0,0]=1 19 B23R3.184487127 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)cc3 TN1288 [0,1,0,0,0,0|0,0,2]=3 20 B23R3.184487127 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)c(O)c3o2 TN2353 [0,1,0,0,0,0|0,0,0]=1 21 B23R3.184688319 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3 T6S0232 [0,1,0,0,0,0|0,0,2]=3 22 B23R3.184688319 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 T1027 [0,1,0,0,0,0|0,0,0]=1 23 B23R3.199765921 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3 TN1126 [0,1,0,0,0,0|0,0,2]=3 24 B23R3.199765921 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)cc3 T6S0095 [0,1,0,0,0,0|0,0,0]=1 25 B23R3.422001140 Oc1ccc(cc1)C2(O)CC(=O)c3c(O)cc(O)cc3O2 TN2769 [0,1,0,0,0,0|0,0,2]=3 26 B21R2.97296 Oc1ccc(cc1)C(=O)CC(=O)c2ccc(O)cc2O T32743 [0,0,1,0,0,0|0,0,2]=3 27 B21R2.362231 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 T2S2173 [0,0,1,0,0,0|0,0,0]=1 28 B21R2.362231 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 T2924 [0,0,1,0,0,0|0,0,2]=3 29 B23R3.71761172 Oc1ccc(Oc2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN3819 [0,0,0,0,0,1|0,0,0]=1 30 B20R2.15570 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 T0725 [1,0,1,0,0,0|0,0,0]=2 31 B20R2.23087 Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1 TN2078 [1,0,1,0,0,0|0,0,0]=2 32 B20R3.19283 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 T7992 [2,0,0,0,0,0|0,0,2]=4 33 B20R3.277426 Oc1ccc2C(=O)CC(Oc2c1)c3ccccc3 T7999 [2,0,0,0,0,0|0,0,2]=4 34 B20R3.277426 Oc1ccc2c(c1)oc(cc2=O)-c3ccccc3 T7472 [2,0,0,0,0,0|0,0,0]=2 35 B20R3.247868 Oc1cccc2oc(cc(=O)c12)-c3ccccc3 T8190 [2,0,0,0,0,0|0,0,0]=2 36 B22R2.13540 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccc(O)cc2 TN1727 [0,1,1,0,0,0|0,0,0]=2 37 B22R2.424900 COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1 TN3460 [0,1,1,0,0,0|0,0,2]=4 38 B22R2.8237677 Oc1cc(O)c(C(=O)/C=C/c2ccc(O)c(O)c2)c(O)c1 TN3987 [0,1,1,0,0,0|0,0,0]=2 39 B22R3.294781 COc1ccc(cc1)C=2Oc3c(ccc(O)c3)C(C2)=O TN3231 [1,1,0,0,0,0|0,0,0]=2 40 B22R3.5321610 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3ccc(O)cc3 TN4110 [1,1,0,0,0,0|0,0,2]=4 41 B22R3.5321610 Oc1ccc(cc1)-c2oc3cc(O)ccc3c(=O)c2O TN2143 [1,1,0,0,0,0|0,0,0]=2 42 B22R3.11067224 Oc1ccc2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 T10637 [1,1,0,0,0,0|0,0,2]=4 43 B22R3.11067224 Oc1ccc2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3 TN1461 [1,1,0,0,0,0|0,0,2]=4 44 B22R3.11067224 Oc1ccc2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 TN3209 [1,1,0,0,0,0|0,0,0]=2 45 B22R3.15233977 Oc1ccc(cc1)[C@@H]2CC(=O)c3cc(O)c(O)cc3O2 TN5498 [1,1,0,0,0,0|0,0,2]=4 46 B22R3.15280887 Oc1cc(O)c2ccc([o+]c2c1)-c3ccc(O)c(O)c3 TN1895 [1,1,0,0,0,0|0,0,1]=3 47 B22R3.41030782 Oc1ccc(cc1)-c2[o+]c3cc(O)cc(O)c3cc2O TN1058 [1,1,0,0,0,0|0,0,1]=3 48 B22R3.2846088 Oc1cc2OC(CC(=O)c2c(O)c1O)c3ccccc3 TN3848 [1,1,0,0,0,0|0,0,2]=4 49 B22R3.2846088 Oc1cc2oc(cc(=O)c2c(O)c1O)-c3ccccc3 T2858 [1,1,0,0,0,0|0,0,0]=2 50 B22R3.18332665 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccccc3 T3867 [1,1,0,0,0,0|0,0,2]=4 51 B22R3.53618968 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 TN2076 [1,1,0,0,0,0|0,0,2]=4 52 B22R3.53618968 Oc1cc(O)c2c(c1)oc(-c3ccccc3)c(O)c2=O T3668 [1,1,0,0,0,0|0,0,0]=2 53 B22R3.78129056 Oc1cc(O)c2c(oc(cc2=O)-c3ccccc3)c1O T8205 [1,1,0,0,0,0|0,0,0]=2 54 B22R3.121441578 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 TN2082 [1,1,0,0,0,0|0,0,2]=4 55 B22R3.121441578 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccccc3 T3S1775 [1,1,0,0,0,0|0,0,0]=2 56 B24R3.391457772 COc1cc(O)c2c(c1)oc(Oc3ccc(O)cc3)cc2=O TN3818 [0,1,0,0,0,1|0,0,0]=2 57 B24R3.13139879 COc1ccc(cc1)-c2oc3cc(O)cc(O)c3c(=O)c2O T3806 [0,2,0,0,0,0|0,0,0]=2 58 B24R3.13272581 COc1ccc(cc1)-c2cc(=O)c3c(O)cc(OC)cc3o2 T5690 [0,2,0,0,0,0|0,0,0]=2 59 B24R3.13272581 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(OC)cc3O2 TN1272 [0,2,0,0,0,0|0,0,2]=4 60 B24R3.132789761 COc1ccc(cc1)[C@@H]2CC(=O)c3c(OC)cc(O)cc3O2 TN5191 [0,2,0,0,0,0|0,0,2]=4 61 B24R3.1245441990 COc1ccc(cc1O)-c2cc(=O)c3c(O)cc(O)cc3o2 T1704 [0,2,0,0,0,0|0,0,0]=2 62 B24R3.1245441990 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2 T12667 [0,2,0,0,0,0|0,0,2]=4 63 B24R3.1245441990 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T2565 [0,2,0,0,0,0|0,0,2]=4 64 B24R3.45751963 COc1cc(O)cc2oc(cc(=O)c12)-c3ccc(O)c(O)c3 TN5506 [0,2,0,0,0,0|0,0,0]=2 65 B24R3.1012910 Oc1ccc(cc1)-c2oc3cc(O)c(O)c(O)c3c(=O)c2O TN1314 [0,2,0,0,0,0|0,0,0]=2 66 B24R3.2307788 COc1c(oc2cc(O)cc(O)c2c1=O)-c3ccc(O)cc3 TN4303 [0,2,0,0,0,0|0,0,0]=2 67 B24R3.115469742 Oc1ccc(cc1)-c2oc3c(O)c(O)cc(O)c3c(=O)c2O T5S1331 [0,2,0,0,0,0|0,0,0]=2 68 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 [0,2,0,0,0,0|0,0,2]=4 69 B24R3.311572219 O[C@@H]1C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 T1738 [0,2,0,0,0,0|0,0,2]=4 70 B24R3.311572219 Oc1cc(O)c2c(c1)oc(-c3ccc(O)c(O)c3)c(O)c2=O T2174 [0,2,0,0,0,0|0,0,0]=2 71 B24R3.311572219 Oc1cc(O)c2c(c1)oc(-c3ccc(O)c(O)c3)c(O)c2=O T6630 [0,2,0,0,0,0|0,0,0]=2 72 B24R3.337787570 COc1cc(O)c2C(=O)[C@H](O)[C@H](Oc2c1)c3ccc(O)cc3 TN6391 [0,2,0,0,0,0|0,0,2]=4 73 B24R3.337787570 COc1cc(O)c2c(c1)oc(-c3ccc(O)cc3)c(O)c2=O T4S0094 [0,2,0,0,0,0|0,0,0]=2 74 B24R3.337787570 COc1cc(O)c2c(c1)oc(-c3ccc(O)cc3)c(O)c2=O TN2151 [0,2,0,0,0,0|0,0,0]=2 75 B24R3.558339597 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O TN1583 [0,2,0,0,0,0|0,0,2]=4 76 B24R3.558339597 Oc1ccc(c(O)c1)-c2oc3cc(O)cc(O)c3c(=O)c2O T2835 [0,2,0,0,0,0|0,0,0]=2 77 B24R3.558339597 Oc1ccc(c(O)c1)-c2oc3cc(O)cc(O)c3c(=O)c2O T6596 [0,2,0,0,0,0|0,0,0]=2 78 B24R3.8721024 COc1c(O)cc2O[C@@H](CC(=O)c2c1O)c3ccc(O)cc3 TN3176 [0,2,0,0,0,0|0,0,2]=4 79 B24R3.8721024 COc1c(O)cc2oc(cc(=O)c2c1O)-c3ccc(O)cc3 TQ0201 [0,2,0,0,0,0|0,0,0]=2 80 B24R3.10522450 COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c3ccc(O)cc3 TMA0260 [0,2,0,0,0,0|0,0,2]=4 81 B24R3.10522450 COc1cc2oc(cc(=O)c2c(O)c1C)-c3ccc(O)cc3 TN3274 [0,2,0,0,0,0|0,0,0]=2 82 B24R3.311191956 Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c3ccc(O)cc3 T6S0525 [0,2,0,0,0,0|0,0,2]=4 83 B24R3.311191956 Cc1c(O)c(C)c2oc(cc(=O)c2c1O)-c3ccc(O)cc3 T13051 [0,2,0,0,0,0|0,0,0]=2 84 B24R3.9104595 COc1c(O)cc(O)c2c1oc(cc2=O)-c3ccc(O)cc3 TN1276 [0,2,0,0,0,0|0,0,0]=2 85 B24R3.337791963 COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3 TN3243 [0,2,0,0,0,0|0,0,2]=4 86 B24R3.557722971 Oc1cc(O)c2c(c1)oc(cc2=O)-c3cc(O)c(O)c(O)c3 TN5171 [0,2,0,0,0,0|0,0,0]=2 87 B24R3.1289013967 COc1cc(ccc1O)-c2cc(=O)c3c(O)cc(O)cc3o2 TN1490 [0,2,0,0,0,0|0,0,0]=2 88 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 TN1740 [0,2,0,0,0,0|0,0,2]=4 89 B22R3.5327493 Oc1ccc(cc1)-c2coc3cc(O)cc(O)c3c2=O T1737 [0,0,0,0,1,1|0,0,0]=2