pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	Datawarrior	1	0	CNc1nc(O)[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C,C[NH2+]c1nc([O-])[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C	CNc1nc([O-])[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C	mol14975	CNc1nc(O)[n+]([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C