pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.37	AttenGpKa training set	1	0	OCCCC1CC[NH+](CCO)CC1	OCCCC1CCN(CCO)CC1	mol24605	OCCCC1CCN(CCO)CC1