pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44	Baltruschat ChEMBL	0	-1	O=C1O[C@@H]([C@H](O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1	O=C1O[C@@H]([C@H](O)CO)C([O-])=C1OCCCOc1no[n+]([O-])c1-c1ccccc1	mol20463	O=C1OC(C(O)CO)C(O)=C1OCCCOc1no[n+]([O-])c1-c1ccccc1