pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.26	Datawarrior	1	0	OC[C@@H]1O[C@H]([n+]2ccc(NO)nc2O)[C@@H](O)[C@H]1O,[O-]c1nc([NH2+]O)cc[n+]1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	[O-]c1nc(NO)cc[n+]1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	mol14985	OC[C@@H]1O[C@H]([n+]2ccc(NO)nc2O)[C@@H](O)[C@H]1O