pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	AttenGpKa training set	1	0	OCC[NH+](CCO)C1CCCCC1	OCCN(CCO)C1CCCCC1	mol24606	OCCN(CCO)C1CCCCC1