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COC1=C(C=C2OC(=O)C=CC2=C1)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-8079836612 [0,1,0,0,0,0|0,0,0]=1 9 B27R3.67596215 COC1=CC2=C(C=C1O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)OC(=O)C=C2 MCULE-2979923602 [0,1,0,0,0,0|0,0,0]=1 10 B24R2.20810 O=C(O)/C=C/C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-8091740929 [1,0,1,0,0,0|0,0,0]=2 11 B24R2.20810 O=C(O)/C=C\C1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-6449724334 [1,0,1,0,0,0|0,0,0]=2 12 B24R2.20810 O=C(O)C=CC1=CC=C(C=C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO MCULE-7807297729 [1,0,1,0,0,0|0,0,0]=2 13 B24R3.618276 OCC1OC(C(C(C1O)O)O)OC2=CC3=CC=CC=C3C=C2 MCULE-7675089363 [2,0,0,0,0,0|1,0,0]=3 14 B24R3.618276 OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-8103784663 [2,0,0,0,0,0|1,0,0]=3 15 B24R3.618276 OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-9486665390 [2,0,0,0,0,0|1,0,0]=3 16 B24R3.618276 OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-4317892943 [2,0,0,0,0,0|1,0,0]=3 17 B24R3.618276 OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-5166215065 [2,0,0,0,0,0|1,0,0]=3 18 B24R3.618276 OC[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-1920587731 [2,0,0,0,0,0|1,0,0]=3 19 B24R3.618276 OC[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-3507320451 [2,0,0,0,0,0|1,0,0]=3 20 B24R3.618276 OC[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)OC2=CC=C3C=CC=CC3=C2 MCULE-5208957294 [2,0,0,0,0,0|1,0,0]=3 21 B26R2.5381282 COC1=CC(=CC=C1OC2OC(C(C(C2O)O)O)CO)C=CC(=O)O MCULE-4453065033 [0,1,1,0,0,0|0,0,0]=2 22 B26R2.5381282 COC1=CC(=CC=C1OC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C=CC(=O)O MCULE-6574103946 [0,1,1,0,0,0|0,0,0]=2 23 B26R2.5381282 COC1=CC(=CC=C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C=C/C(=O)O MCULE-5281739651 [0,1,1,0,0,0|0,0,0]=2 24 B26R2.5381282 COC1=CC(=CC=C1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C=CC(=O)O MCULE-5301750527 [0,1,1,0,0,0|0,0,0]=2 25 B26R3.44943753 O=C1C=CC2=C(O1)C=C(C(=C2)OC3OC(C(C(C3O)O)O)CO)O MCULE-7396618201 [1,1,0,0,0,0|2,0,0]=4 26 B26R3.44943753 O=C1C=CC2=C(O1)C=C(C(=C2)OC3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)O MCULE-6951830749 [1,1,0,0,0,0|2,0,0]=4 27 B26R3.44943753 O=C1C=CC2=C(O1)C=C(C(=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)O MCULE-8058387809 [1,1,0,0,0,0|2,0,0]=4 28 B26R3.44943753 O=C1C=CC2=CC(=C(C=C2O1)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-9296080338 [1,1,0,0,0,0|2,0,0]=4 29 B26R3.17436589 O=C1C=CC2=C(O1)C=C(C=C2)OC3OC(C(C(C3O)O)O)C(=O)O MCULE-5799136694 [1,1,0,0,0,0|0,0,1]=3 30 B26R3.17436589 O=C1C=CC2=C(O1)C=C(C=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(=O)[O-] MCULE-3751140607 [1,1,0,0,0,0|0,0,2]=4 31 B26R3.17436589 O=C1C=CC2=C(O1)C=C(C=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(=O)[O-] MCULE-8784420853 [1,1,0,0,0,0|0,0,2]=4 32 B26R3.17436589 O=C1C=CC2=CC=C(C=C2O1)OC3OC(C(C(C3O)O)O)C(=O)[O-] MCULE-2907433656 [1,1,0,0,0,0|0,0,2]=4 33 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B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H]3O[C@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-9872165597 [1,1,0,0,0,0|0,0,0]=2 42 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO MCULE-3436607977 [1,1,0,0,0,0|0,0,0]=2 43 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO MCULE-8053251944 [1,1,0,0,0,0|0,0,0]=2 44 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@H]([C@@H]([C@@H]3O)O)O)CO MCULE-8129917612 [1,1,0,0,0,0|0,0,0]=2 45 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@H]([C@@H]([C@@H]3O)O)O)CO MCULE-8522257268 [1,1,0,0,0,0|0,0,0]=2 46 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3N)O)O)CO MCULE-1339513857 [1,1,0,0,0,0|1,0,0]=3 47 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-4648787517 [1,1,0,0,0,0|0,0,0]=2 48 B26R3.309829056 CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-9341911026 [1,1,0,0,0,0|0,0,0]=2 49 B26R3.309829056 CC1=CC(=O)OC2=CC(=CC=C12)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-4453498874 [1,1,0,0,0,0|0,0,0]=2 50 B26R3.309829056 CC1=CC(=O)OC2=CC(=CC=C12)O[C@H]3OC([C@@H]([C@H](C3O)O)O)CO MCULE-6937086112 [1,1,0,0,0,0|0,0,0]=2 51 B28R3.96411914 COC1=C(C(=C2OC(=O)C=CC2=C1)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-3968048280 [0,2,0,0,0,0|0,0,0]=2 52 B28R3.96411914 COC1=C(C(=C2OC(=O)C=CC2=C1)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-8197138713 [0,2,0,0,0,0|0,0,0]=2 53 B28R3.493333706 CC1=CC(=O)OC2=C(C(=C(C=C12)F)O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)F MCULE-2148464900 [0,2,0,0,0,0|1,0,0]=3 54 B28R3.493333706 CC1=CC(=O)OC2=C1C=C(C(=C2F)OC3OC(C(C(C3O)O)O)CO)F MCULE-8556522998 [0,2,0,0,0,0|1,0,0]=3 55 B28R3.493333706 CC1=CC(=O)OC2=C1C=C(C(=C2F)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)F MCULE-2032007961 [0,2,0,0,0,0|1,0,0]=3 56 B28R3.493333706 CC1=CC(=O)OC2=C1C=C(C(=C2F)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)F MCULE-8508263189 [0,2,0,0,0,0|1,0,0]=3 57 B28R3.96409268 COC1=CC2=C(C=C1OC3OC(C(C(C3O)O)O)C(=O)O)OC(=O)C=C2 MCULE-6395035555 [0,2,0,0,0,0|0,0,1]=3 58 B28R3.3842714307 CC1=CC(=O)OC2=C1C=C(C(=C2)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@@H]3O)O)O)C(=O)O)Cl MCULE-8923753810 [0,2,0,0,0,0|1,0,1]=4 59 B28R3.3842714307 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(=O)O MCULE-1597658928 [0,2,0,0,0,0|1,0,1]=4 60 B28R3.3842714307 CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(=O)O MCULE-5990595959 [0,2,0,0,0,0|1,0,1]=4 61 B28R3.656840044 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3OC(C(C(C3O)O)O)CO MCULE-3096997872 [0,2,0,0,0,0|1,0,0]=3 62 B28R3.656840044 CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-5509238133 [0,2,0,0,0,0|1,0,0]=3 63 B26R3.44864471 O=C1C=CC2=C(O1)C(=C(C=C2)O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO MCULE-9786200750 [0,0,0,0,1,1|0,0,0]=2 64 B26R3.44864471 O=C1C=CC2=CC=C(C(=C2O1)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)O MCULE-6518912539 [0,0,0,0,1,1|0,0,0]=2