pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	1	0	[NH3+]c1cccc(OCCO)c1	Nc1cccc(OCCO)c1	mol23747	Nc1cccc(OCCO)c1