pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	OCHEM	1	0	CCC[NH+](CCC)c1ccc(N=O)cc1	CCCN(CCC)c1ccc(N=O)cc1	mol3369	CCCN(CCC)c1ccc(N=O)cc1
4.17000007629395	QSARToolbox	1	0	CCC[NH+](CCC)c1ccc(N=O)cc1	CCCN(CCC)c1ccc(N=O)cc1	mol3369	CCCN(CCC)c1ccc(N=O)cc1