pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.03	AttenGpKa training set	2	1	[NH3+]CCC[n+]1ccccc1	NCCC[n+]1ccccc1	mol24254	NCCC[n+]1ccccc1