0 B21R3.41307345 Cc1cc(O)cc2oc(cc(=O)c12)-c3ccccc3 TN3233 [0,0,0,0,0,0|1,0,0]=1 1 B21R3.41307345 Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3 TN2077 [0,0,0,0,0,0|0,0,2]=2 2 B21R3.41307345 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 T2992 [0,0,0,0,0,0|0,0,2]=2 3 B21R3.41307345 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccccc3 T2837 [0,0,0,0,0,0|0,0,0]=0 4 B20R3.247868 Oc1cccc2oc(cc(=O)c12)-c3ccccc3 T8190 [1,0,0,0,0,0|0,0,0]=1 5 B20R3.277426 Oc1ccc2C(=O)CC(Oc2c1)c3ccccc3 T7999 [1,0,0,0,0,0|0,0,2]=3 6 B20R3.277426 Oc1ccc2c(c1)oc(cc2=O)-c3ccccc3 T7472 [1,0,0,0,0,0|0,0,0]=1 7 B22R3.2846088 Oc1cc2OC(CC(=O)c2c(O)c1O)c3ccccc3 TN3848 [0,1,0,0,0,0|0,0,2]=3 8 B22R3.2846088 Oc1cc2oc(cc(=O)c2c(O)c1O)-c3ccccc3 T2858 [0,1,0,0,0,0|0,0,0]=1 9 B22R3.18332665 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccccc3 T3867 [0,1,0,0,0,0|0,0,2]=3 10 B22R3.53618968 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3 TN2076 [0,1,0,0,0,0|0,0,2]=3 11 B22R3.53618968 Oc1cc(O)c2c(c1)oc(-c3ccccc3)c(O)c2=O T3668 [0,1,0,0,0,0|0,0,0]=1 12 B22R3.78129056 Oc1cc(O)c2c(oc(cc2=O)-c3ccccc3)c1O T8205 [0,1,0,0,0,0|0,0,0]=1 13 B22R3.98287844 Oc1ccc(C2CC(=O)c3c(O2)cc(cc3O)O)cc1 TMS2171 [0,1,0,0,0,0|0,0,2]=3 14 B22R3.98287844 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T2175 [0,1,0,0,0,0|0,0,0]=1 15 B22R3.98287844 Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T2838 [0,1,0,0,0,0|0,0,2]=3 16 B22R3.121441578 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3 TN2082 [0,1,0,0,0,0|0,0,2]=3 17 B22R3.121441578 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccccc3 T3S1775 [0,1,0,0,0,0|0,0,0]=1 18 B20R2.23087 Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1 TN2078 [0,0,1,0,0,0|0,0,0]=1 19 B19R2.4531 Oc1ccc(C(=O)C=Cc2ccccc2)c(O)c1 T8829 [1,0,1,0,0,0|0,0,0]=2 20 B19R3.9171 O=C1CC(Oc2ccccc12)c3ccccc3 T0530 [2,0,0,0,0,0|0,0,2]=4 21 B19R3.9171 O=c1cc(oc2ccccc12)-c3ccccc3 T2876 [2,0,0,0,0,0|0,0,0]=2 22 B21R2.11679 COc1cc(O)cc(O)c1C(=O)/C=C/c2ccccc2 T2994 [0,1,1,0,0,0|0,0,0]=2 23 B21R2.15581 COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O)c1 TN2083 [0,1,1,0,0,0|0,0,0]=2 24 B21R2.15581 COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1 TN2737 [0,1,1,0,0,0|0,0,2]=4 25 B21R2.362231 Oc1ccc(/C=C/C(=O)c2c(O)cc(O)cc2O)cc1 T2S2173 [0,1,1,0,0,0|0,0,0]=2 26 B21R2.362231 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 T2924 [0,1,1,0,0,0|0,0,2]=4 27 B21R2.97296 Oc1ccc(cc1)C(=O)CC(=O)c2ccc(O)cc2O T32743 [0,1,1,0,0,0|0,0,2]=4 28 B21R3.727497 COc1cccc2OC(CC(=O)c12)c3ccccc3 TN1293 [1,1,0,0,0,0|0,0,2]=4 29 B21R3.727497 COc1cccc2oc(cc(=O)c12)-c3ccccc3 T3343 [1,1,0,0,0,0|0,0,0]=2 30 B21R3.50471385 Oc1ccc(cc1)-c2cc(=O)c3c(O)cccc3o2 T8260 [1,1,0,0,0,0|0,0,0]=2 31 B21R3.649532 Oc1ccc(cc1)-c2cc(=O)c3ccc(O)cc3o2 TN1273 [1,1,0,0,0,0|0,0,0]=2 32 B21R3.649532 Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2 T3325 [1,1,0,0,0,0|0,0,2]=4 33 B21R3.787770 COc1ccc2c(c1)oc(cc2=O)-c3ccccc3 T7907 [1,1,0,0,0,0|0,0,0]=2 34 B21R3.6927174 Oc1cc2oc(cc(=O)c2cc1O)-c3ccccc3 TN3148 [1,1,0,0,0,0|0,0,0]=2 35 B21R3.7155654 Oc1ccc2c(c1)oc(-c3ccccc3)c(O)c2=O T8248 [1,1,0,0,0,0|0,0,0]=2 36 B21R3.7157819 Oc1ccc2c(oc(cc2=O)-c3ccccc3)c1O T2816 [1,1,0,0,0,0|0,0,0]=2 37 B23R3.71761172 Oc1ccc(Oc2cc(=O)c3c(O)cc(O)cc3o2)cc1 TN3819 [0,1,0,0,0,1|0,0,0]=2 38 B23R3.2128607 COc1c(O)cc2O[C@@H](CC(=O)c2c1O)c3ccccc3 TN3856 [0,2,0,0,0,0|0,0,2]=4 39 B23R3.2128607 COc1c(O)cc2oc(cc(=O)c2c1O)-c3ccccc3 T6S1315 [0,2,0,0,0,0|0,0,0]=2 40 B23R3.7367807 COc1cc2oc(cc(=O)c2c(O)c1O)-c3ccccc3 T2S0843 [0,2,0,0,0,0|0,0,0]=2 41 B23R3.71772102 Cc1c(O)c2C(CC(c3ccc(cc3)O)Oc2cc1O)=O TN4818 [0,2,0,0,0,0|0,0,2]=4 42 B23R3.71772102 Oc1ccc(cc1)-c2cc(=O)c3c(O)c(O)c(O)cc3o2 T3319 [0,2,0,0,0,0|0,0,0]=2 43 B23R3.28411805 COc1cc(OC)c2C(=O)C[C@@H](Oc2c1)c3ccccc3 TN1232 [0,2,0,0,0,0|0,0,2]=4 44 B23R3.28411805 COc1cc(OC)c2c(c1)oc(cc2=O)-c3ccccc3 T5778 [0,2,0,0,0,0|0,0,0]=2 45 B23R3.29715607 COc1cc(O)cc2O[C@@H](CC(=O)c12)c3ccc(O)cc3 TN3135 [0,2,0,0,0,0|0,0,2]=4 46 B23R3.29715607 COc1cc(O)cc2oc(cc(=O)c12)-c3ccc(O)cc3 T13922 [0,2,0,0,0,0|0,0,0]=2 47 B23R3.29719287 COc1cc(O)cc2O[C@@H]([C@@H](O)C(=O)c12)c3ccccc3 TN4790 [0,2,0,0,0,0|0,0,2]=4 48 B23R3.184688319 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)c(O)c3 T6S0232 [0,2,0,0,0,0|0,0,2]=4 49 B23R3.184688319 Oc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)c(O)c3 T1027 [0,2,0,0,0,0|0,0,0]=2 50 B23R3.87754748 Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c3ccccc3Br T13546 [0,2,0,0,0,0|0,0,0]=2 51 B23R3.87754748 Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c3ccccc3O TN2690 [0,2,0,0,0,0|0,0,0]=2 52 B23R3.2166815 COc1c(oc2cc(O)cc(O)c2c1=O)-c3ccccc3 T5707 [0,2,0,0,0,0|0,0,0]=2 53 B23R3.71745916 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 TN1406 [0,2,0,0,0,0|0,0,2]=4 54 B23R3.71745916 Oc1ccc(cc1)-c2oc3cc(O)cc(O)c3c(=O)c2O T2177 [0,2,0,0,0,0|0,0,0]=2 55 B23R3.199763632 COc1cc(O)c2c(c1)oc(-c3ccccc3)c(O)c2=O TN4342 [0,2,0,0,0,0|0,0,0]=2 56 B23R3.6468498 COc1c(O)cc(O)c2c1oc(cc2=O)-c3ccccc3 T2933 [0,2,0,0,0,0|0,0,0]=2 57 B23R3.184487127 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)cc3 TN1288 [0,2,0,0,0,0|0,0,2]=4 58 B23R3.184487127 Oc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)c(O)c3o2 TN2353 [0,2,0,0,0,0|0,0,0]=2 59 B23R3.422001140 Oc1ccc(cc1)C2(O)CC(=O)c3c(O)cc(O)cc3O2 TN2769 [0,2,0,0,0,0|0,0,2]=4 60 B23R3.9068341 COc1ccc(cc1)-c2cc(=O)c3c(O)cc(O)cc3o2 T3981 [0,2,0,0,0,0|0,0,0]=2 61 B23R3.9068341 COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 T5S0229 [0,2,0,0,0,0|0,0,2]=4 62 B23R3.199765921 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3 TN1126 [0,2,0,0,0,0|0,0,2]=4 63 B23R3.199765921 COc1cc(O)c2c(c1)oc(cc2=O)-c3ccc(O)cc3 T6S0095 [0,2,0,0,0,0|0,0,0]=2 64 B21R3.4952563 Oc1cc(O)c2c(cc(=O)oc2c1)-c3ccccc3 T5070 [0,0,1,1,0,0|2,0,0]=4 65 B21R3.7123795 Oc1cc(O)c2c(c1)oc3c(O)ccc(O)c3c2=O TN1084 [0,0,1,1,0,0|2,0,0]=4