pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.86	AttenGpKa training set	1	0	CC[NH+](CC)C1CCCCC1	CCN(CC)C1CCCCC1	mol24556	CCN(CC)C1CCCCC1