pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.80999994277954	QSARToolbox	1	0	CCCN1CC[NH+](c2ncccn2)CC1,CCC[NH+]1CCN(c2ncccn2)CC1	CCCN1CCN(c2ncccn2)CC1	mol24631	CCCN1CCN(c2ncccn2)CC1
7.91	AttenGpKa training set	1	0	CCCN1CC[NH+](c2ncccn2)CC1,CCC[NH+]1CCN(c2ncccn2)CC1	CCCN1CCN(c2ncccn2)CC1	mol24631	CCCN1CCN(c2ncccn2)CC1