pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42000007629395	QSARToolbox	1	0	CCOC(=O)C12CC[NH+](CC1)CC2	CCOC(=O)C12CCN(CC1)CC2	mol24597	CCOC(=O)C12CCN(CC1)CC2
9.505	AttenGpKa training set	1	0	CCOC(=O)C12CC[NH+](CC1)CC2	CCOC(=O)C12CCN(CC1)CC2	mol24597	CCOC(=O)C12CCN(CC1)CC2