pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.66	Datawarrior	1	0	CN1CCCCC[NH+]1C	CN1CCCCCN1C	mol13591	CN1CCCCCN1C
6.6599998	OCHEM	1	0	CN1CCCCC[NH+]1C	CN1CCCCCN1C	mol13591	CN1CCCCCN1C
6.65999984741211	QSARToolbox	1	0	CN1CCCCC[NH+]1C	CN1CCCCCN1C	mol13591	CN1CCCCCN1C