pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3600001335144	QSARToolbox	1	0	O=[N+]([O-])c1cccc(OCc2cn3c([nH+]2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c1	O=[N+]([O-])c1cccc(OCc2cn3c(n2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c1	mol36928	O=[N+]([O-])c1cccc(OCc2cn3c(n2)[C@@H](O)[C@@H](O)[C@H](O)[C@H]3CO)c1