pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.06	Datawarrior	1	0	CCC[NH+](CCC)c1ccc([N+](=O)[O-])cc1	CCCN(CCC)c1ccc([N+](=O)[O-])cc1	mol14441	CCCN(CCC)c1ccc([N+](=O)[O-])cc1
1.0599999	OCHEM	1	0	CCC[NH+](CCC)c1ccc([N+](=O)[O-])cc1	CCCN(CCC)c1ccc([N+](=O)[O-])cc1	mol14441	CCCN(CCC)c1ccc([N+](=O)[O-])cc1
1.05999994277954	QSARToolbox	1	0	CCC[NH+](CCC)c1ccc([N+](=O)[O-])cc1	CCCN(CCC)c1ccc([N+](=O)[O-])cc1	mol14441	CCCN(CCC)c1ccc([N+](=O)[O-])cc1