0 B24R3.311572219 Oc1cc(O)c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)O)O Amb1027849 [0,0,0,0,0,0|0,0,0]=0 1 B24R3.311572219 Oc1cc(O)c2c(c1)oc(c(c2=O)O)c3ccc(c(c3)O)O Amb1279804 [0,0,0,0,0,0|0,0,0]=0 2 B24R3.311572219 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2c(O)c1 Amb18371663 [0,0,0,0,0,0|0,0,0]=0 3 B24R3.311572219 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2c(O)c1 Amb18511406 [0,0,0,0,0,0|0,0,0]=0 4 B24R3.311572219 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2c(O)c1 Amb19668884 [0,0,0,0,0,0|0,0,0]=0 5 B24R3.311572219 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2c(O)c1 Amb21928528 [0,0,0,0,0,0|0,0,0]=0 6 B24R3.311572219 Oc1cc2OC(c3ccc(c(c3)O)O)C(C(=O)c2c(c1)O)O Amb1056090 [0,0,0,0,0,0|0,0,2]=2 7 B24R3.311572219 Oc1cc2OC(c3ccc(c(c3)O)O)C(C(c2c(c1)O)O)O Amb16193264 [0,0,0,0,0,0|0,0,4]=4 8 B24R3.311572219 Oc1cc2OC(c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O Amb16200032 [0,0,0,0,0,0|0,0,2]=2 9 B23R3.17086460 O[C@@H]1[C@@H](Oc2cc(O)ccc2C1=O)c3cc(O)c(O)cc3 Amb22800141 [1,0,0,0,0,0|0,0,2]=3 10 B23R3.17086460 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2cc1 Amb18511407 [1,0,0,0,0,0|0,0,0]=1 11 B23R3.17086460 Oc1cc2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2cc1 Amb20663584 [1,0,0,0,0,0|0,0,0]=1 12 B23R3.71745916 CC=1C(=O)c2c(cc(O)cc2O)OC1c3ccc(F)cc3 Amb24070308 [1,0,0,0,0,0|2,0,0]=3 13 B23R3.71745916 Oc1cc(O)cc2OC(c3ccc(O)cc3)=C(O)C(=O)c12 Amb18511400 [1,0,0,0,0,0|0,0,0]=1 14 B23R3.71745916 Oc1cc(O)cc2OC(c3ccc(O)cc3)=C(O)C(O)c12 Amb22731800 [1,0,0,0,0,0|0,0,2]=3 15 B23R3.71745916 Oc1ccc(cc1)[C@H]2Oc3cc(O)cc(c3C(=O)[C@@H]2O)O Amb16192992 [1,0,0,0,0,0|0,0,2]=3 16 B23R3.184673847 OC1Cc2c(cc(O)cc2O)OC1c3cc(O)c(O)cc3 Amb22169908 [1,0,0,0,0,0|0,0,3]=4 17 B23R3.184673847 OC1Cc2c(cc(O)cc2O)OC1c3cc(O)c(O)cc3 Amb22467753 [1,0,0,0,0,0|0,0,3]=4 18 B23R3.184673847 Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O Amb16184168 [1,0,0,0,0,0|0,0,3]=4 19 B23R3.184688319 OC1=CC2OC(=CC(=O)C2C(=C1)O)c3ccc(c(c3)O)O Amb16182623 [1,0,0,0,0,0|0,0,2]=3 20 B23R3.184688319 Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c3ccc(c(c3)O)O Amb16192979 [1,0,0,0,0,0|0,0,2]=3 21 B23R3.184688319 Oc1cc2O[C@H](CC(=O)c2c(c1)O)c3ccc(c(c3)O)O Amb10072177 [1,0,0,0,0,0|0,0,2]=3 22 B23R3.184688319 Oc1ccc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511398 [1,0,0,0,0,0|0,0,0]=1 23 B23R3.184688319 Oc1ccc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb21929356 [1,0,0,0,0,0|0,0,0]=1 24 B25R3.11816672 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 Amb18511702 [0,1,0,0,0,0|0,0,0]=1 25 B25R3.11816672 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3 Amb20665135 [0,1,0,0,0,0|0,0,0]=1 26 B25R3.42836562 Cc1c(O)c2C(=O)C(O)=C(Oc2cc1O)c3cc(O)c(O)cc3 Amb19928571 [0,1,0,0,0,0|0,0,0]=1 27 B25R3.42836562 Oc1c2C(=O)C(O)=C(Oc2cc(O)c1O)c3cc(O)c(O)cc3 Amb18511593 [0,1,0,0,0,0|0,0,0]=1 28 B25R3.157573357 Oc1cc2OC(c3cc(O)c(O)c(O)c3)=C(O)C(=O)c2c(O)c1 Amb18511401 [0,1,0,0,0,0|0,0,0]=1 29 B25R3.157573357 Oc1cc2OC(c3cc(O)c(c(c3)O)O)C(C(=O)c2c(c1)O)O Amb10549908 [0,1,0,0,0,0|0,0,2]=3 30 B25R3.296046236 Cc1c2OC(c3cc(O)c(O)cc3)=C(O)C(=O)c2c(O)cc1O Amb20591891 [0,1,0,0,0,0|0,0,0]=1 31 B25R3.296046236 Oc1cc(O)c2C(=O)C(O)=C(Oc2c1O)c3cc(O)c(O)cc3 Amb18511635 [0,1,0,0,0,0|0,0,0]=1 32 B25R3.351843520 COc1cc(O)cc2OC(=C(O)C(=O)c12)c3ccc(O)c(O)c3 Amb22054320 [0,1,0,0,0,0|0,0,0]=1 33 B25R3.351843520 COc1cc(O)cc2OC(C3CC=C(O)C(O)=C3)=C(O)C(=O)c12 Amb22002037 [0,1,0,0,0,0|0,0,2]=3 34 B25R3.696862022 Oc1cc2OC(c3ccc(O)c(O)c3O)=C(O)C(=O)c2c(O)c1 Amb19133361 [0,1,0,0,0,0|0,0,0]=1 35 B25R3.970028913 COc1cc(O)c2c(c1)OC(=C(O)C2=O)c3ccc(O)c(O)c3 Amb18511623 [0,1,0,0,0,0|0,0,0]=1 36 B25R3.1196228775 COc1ccc(cc1O)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb18511624 [0,1,0,0,0,0|0,0,0]=1 37 B25R3.1229852970 COc1cc(ccc1O)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb18511405 [0,1,0,0,0,0|0,0,0]=1 38 B25R3.1229852970 COc1cc(ccc1O)c2oc3cc(O)cc(c3c(=O)c2C)O Amb10842391 [0,1,0,0,0,0|1,0,0]=2 39 B22R3.1019447 Oc1cc(ccc1O)C=2Oc3ccccc3C(=O)C2O Amb21928446 [2,0,0,0,0,0|0,0,0]=2 40 B22R3.10328943 Oc1ccc(cc1O)C2=CC(=O)c3c(cccc3O)O2 Amb20665308 [2,0,0,0,0,0|0,0,0]=2 41 B22R3.5321610 Cc1cc2OC(=C(O)C(=O)c2cc1)c3ccc(F)cc3 Amb20665446 [2,0,0,0,0,0|2,0,0]=4 42 B22R3.5321610 Cc1ccc(cc1)C=2Oc3cc(Cl)ccc3C(=O)C2O Amb19541418 [2,0,0,0,0,0|2,0,0]=4 43 B22R3.5321610 OC=1C(=O)c2ccc(Cl)cc2OC1c3ccc(F)cc3 Amb19541758 [2,0,0,0,0,0|2,0,0]=4 44 B22R3.5321610 OC=1C(=O)c2ccc(O)cc2OC1c3ccc(O)cc3 Amb18511659 [2,0,0,0,0,0|0,0,0]=2 45 B22R3.5321610 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3ccc(O)cc3 Amb23604180 [2,0,0,0,0,0|0,0,2]=4 46 B22R3.5446488 Oc1cc2OC(c3cc(O)ccc3)=C(O)C(=O)c2cc1 Amb20665382 [2,0,0,0,0,0|0,0,0]=2 47 B22R3.10664887 Oc1cc2[o+]c(-c3cc(O)c(O)cc3)c(O)cc2cc1 Amb21855710 [2,0,0,0,0,0|0,0,1]=3 48 B22R3.11067224 Oc1cc(ccc1O)C2=CC(=O)c3ccc(O)cc3O2 Amb18511643 [2,0,0,0,0,0|0,0,0]=2 49 B22R3.41030782 Oc1ccc(cc1)c2[o+]c3cc(O)cc(c3cc2O)O Amb16192917 [2,0,0,0,0,0|0,0,1]=3 50 B22R3.53618968 Oc1cc2CC(=C(C(=O)c2c(c1)O)O)c3ccccc3 Amb17597321 [2,0,0,0,0,0|1,0,0]=3 51 B22R3.53618968 Oc1cc2OC(c3ccccc3)=C(O)C(=O)c2c(O)c1 Amb18511617 [2,0,0,0,0,0|0,0,0]=2 52 B22R3.98287844 Oc1cc(O)cc2OC(=CC(=O)c12)c3ccc(Cl)cc3 Amb20241798 [2,0,0,0,0,0|1,0,0]=3 53 B22R3.98287844 Oc1cc(O)cc2OC(=CC(=O)c12)c3ccc(O)cc3 Amb18511397 [2,0,0,0,0,0|0,0,0]=2 54 B22R3.98287844 Oc1cc(O)cc2OC(=CC(O)c12)c3ccc(O)cc3 Amb22584583 [2,0,0,0,0,0|0,0,2]=4 55 B22R3.98287844 Oc1ccc(cc1)C2CC(=O)c3c(O2)cc(cc3O)O Amb17618270 [2,0,0,0,0,0|0,0,2]=4 56 B24R3.69665233 COc1cc(ccc1O)C=2Oc3cc(O)ccc3C(=O)C2O Amb18511631 [1,1,0,0,0,0|0,0,0]=2 57 B24R3.225947966 CN1C(c2cc(O)c(O)cc2)=C(O)C(=O)c3ccc(F)cc13 Amb21960852 [1,1,0,0,0,0|2,0,0]=4 58 B24R3.537224535 O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3cc(O)c(O)c(O)c3 Amb24325769 [1,1,0,0,0,0|0,0,2]=4 59 B24R3.537224535 Oc1cc2OC(c3cc(O)c(O)c(O)c3)=C(O)C(=O)c2cc1 Amb18511408 [1,1,0,0,0,0|0,0,0]=2 60 B24R3.1012910 Oc1ccc(cc1)C=2Oc3cc(O)c(O)c(O)c3C(=O)C2O Amb22173747 [1,1,0,0,0,0|0,0,0]=2 61 B24R3.2307788 COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3 Amb19742207 [1,1,0,0,0,0|0,0,0]=2 62 B24R3.13139879 COc1ccc(cc1)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb18511404 [1,1,0,0,0,0|0,0,0]=2 63 B24R3.45757781 COc1cc(O)cc2OC(=C(O)C(=O)c12)c3ccc(O)cc3 Amb22173870 [1,1,0,0,0,0|0,0,0]=2 64 B24R3.115469742 Oc1ccc(cc1)C=2Oc3c(C(=O)C2O)c(O)cc(O)c3O Amb18511703 [1,1,0,0,0,0|0,0,0]=2 65 B24R3.337787570 COc1cc(O)c2c(c1)OC(=C(O)C2=O)c3ccc(O)cc3 Amb19886472 [1,1,0,0,0,0|0,0,0]=2 66 B24R3.558339597 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O Amb22748561 [1,1,0,0,0,0|0,0,2]=4 67 B24R3.558339597 Oc1cc(O)c(cc1)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb18511704 [1,1,0,0,0,0|0,0,0]=2 68 B24R3.558339597 Oc1cc(O)c(cc1)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb20246382 [1,1,0,0,0,0|0,0,0]=2 69 B24R3.558339597 Oc1cc(O)c(cc1)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb22168349 [1,1,0,0,0,0|0,0,0]=2 70 B24R3.37368224 Oc1c(O)c2cc(O)c([o+]c2cc1O)-c3cc(O)c(O)cc3 Amb18511570 [1,1,0,0,0,0|0,0,1]=3 71 B24R3.311597000 Oc1cc(ccc1O)-c2[o+]c3c(cc2O)c(O)cc(O)c3O Amb18511558 [1,1,0,0,0,0|0,0,1]=3 72 B24R3.489600168 Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c3cc(O)c(c(c3)O)O Amb10845053 [1,1,0,0,0,0|0,0,1]=3 73 B24R3.337791963 COc1cc(O)c2c(c1)OC(=CC2=O)c3ccc(O)c(O)c3 Amb19959169 [1,1,0,0,0,0|0,0,0]=2 74 B24R3.557722971 Oc1c(O)cc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511697 [1,1,0,0,0,0|0,0,0]=2 75 B24R3.558304036 Oc1ccc(C2=CC(=O)c3c(cc(O)cc3O)O2)c(O)c1O Amb19928577 [1,1,0,0,0,0|0,0,0]=2 76 B24R3.1245441990 COc1ccc(cc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511414 [1,1,0,0,0,0|0,0,0]=2 77 B24R3.1289013967 COc1cc(ccc1O)C2=CC(=O)c3c(cc(C)cc3C)O2 Amb17992006 [1,1,0,0,0,0|2,0,0]=4 78 B24R3.1289013967 COc1cc(ccc1O)C2=CC(=O)c3c(cc(O)cc3O)O2 Amb18511613 [1,1,0,0,0,0|0,0,0]=2 79 B24R3.1289013967 COc1cc(ccc1O)[C@@H]2CC(=O)c3c(cc(O)cc3O)O2 Amb18511668 [1,1,0,0,0,0|0,0,2]=4 80 B26R3.2619771 COC1=C(Oc2c(C1=O)c(O)cc(O)c2O)c3cc(O)c(O)cc3 Amb22583882 [0,2,0,0,0,0|0,0,0]=2 81 B26R3.1021130668 COc1cc2OC(=C(OC)C(=O)c2c(O)c1)c3cc(O)c(O)cc3 Amb21928557 [0,2,0,0,0,0|0,0,0]=2 82 B26R3.1273541081 COC=1C(=O)c2c(cc(O)cc2O)OC1c3cc(O)c(cc3)OC Amb18511590 [0,2,0,0,0,0|0,0,0]=2 83 B26R3.260363328 COc1cc(cc(O)c1O)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb18511700 [0,2,0,0,0,0|0,0,0]=2 84 B26R3.2332029635 COc1c(O)cc(cc1O)C=2Oc3cc(O)cc(O)c3C(=O)C2O Amb22407093 [0,2,0,0,0,0|0,0,0]=2 85 B26R3.15695957 COc1cc(OC)c2C(=O)C(O)=C(Oc2c1)c3cc(O)c(O)cc3 Amb24107328 [0,2,0,0,0,0|0,0,0]=2 86 B26R3.1021130670 COc1cc2OC(c3cc(OC)c(O)cc3)=C(O)C(=O)c2c(O)c1 Amb18511676 [0,2,0,0,0,0|0,0,0]=2 87 B26R3.2137914708 COc1cc2OC(C3CC=C(OC)C(O)=C3)=C(O)C(=O)c2c(O)c1 Amb22002088 [0,2,0,0,0,0|0,0,2]=4 88 B26R3.2137914708 COc1cc2OC(c3cc(O)c(cc3)OC)=C(O)C(=O)c2c(O)c1 Amb22172745 [0,2,0,0,0,0|0,0,0]=2 89 B26R3.1273258667 Cc1cc2OC(=C(O)C(=O)c2c(C)c1)c3cc(OC)c(cc3)OC Amb22551880 [0,2,0,0,0,0|2,0,0]=4