pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	AttenGpKa training set	1	0	CCC(N)(CC)C([NH3+])(CC)CC	CCC(N)(CC)C(N)(CC)CC	mol24476	CCC(N)(CC)C(N)(CC)CC
9.3	AttenGpKa training set	1	0	CCC(N)(CC)C([NH3+])(CC)CC	CCC(N)(CC)C(N)(CC)CC	mol24476	CCC(N)(CC)C(N)(CC)CC