pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4399995803833	QSARToolbox	1	0	COCC12CC[NH+](CC1)CC2	COCC12CCN(CC1)CC2	mol24550	COCC12CCN(CC1)CC2
10.46	AttenGpKa training set	1	0	COCC12CC[NH+](CC1)CC2	COCC12CCN(CC1)CC2	mol24550	COCC12CCN(CC1)CC2