pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.61	Datawarrior	1	0	Nc1cc[n+](O)cc1	Nc1cc[n+]([O-])cc1	mol3823	Nc1cc[n+]([O-])cc1
3.6099999	OCHEM	1	0	Nc1cc[n+](O)cc1	Nc1cc[n+]([O-])cc1	mol3823	Nc1cc[n+]([O-])cc1
3.53999996185303	QSARToolbox	1	0	Nc1cc[n+](O)cc1	Nc1cc[n+]([O-])cc1	mol3823	Nc1cc[n+]([O-])cc1
3.69000005722046	QSARToolbox	1	0	Nc1cc[n+](O)cc1	Nc1cc[n+]([O-])cc1	mol3823	Nc1cc[n+]([O-])cc1
3.65000009536743	QSARToolbox	1	0	Nc1cc[n+](O)cc1	Nc1cc[n+]([O-])cc1	mol3823	Nc1cc[n+]([O-])cc1