pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.05	Datawarrior	2	1	CCC[NH+](C)[NH+](C)CCC	CCCN(C)[NH+](C)CCC	mol13107	CCCN(C)N(C)CCC
7.0500002	OCHEM	2	1	CCC[NH+](C)[NH+](C)CCC	CCCN(C)[NH+](C)CCC	mol13107	CCCN(C)N(C)CCC
7.05000019073486	QSARToolbox	2	1	CCC[NH+](C)[NH+](C)CCC	CCCN(C)[NH+](C)CCC	mol13107	CCCN(C)N(C)CCC