pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Datawarrior	0	-1	CCC([N+](=O)[O-])=[N+]([O-])O	CCC([N+](=O)[O-])=[N+]([O-])[O-]	mol13491	CCC([N+](=O)[O-])=[N+]([O-])O
4.0999999	OCHEM	0	-1	CCC([N+](=O)[O-])=[N+]([O-])O	CCC([N+](=O)[O-])=[N+]([O-])[O-]	mol13491	CCC([N+](=O)[O-])=[N+]([O-])O
4.09999990463257	QSARToolbox	0	-1	CCC([N+](=O)[O-])=[N+]([O-])O	CCC([N+](=O)[O-])=[N+]([O-])[O-]	mol13491	CCC([N+](=O)[O-])=[N+]([O-])O