pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	AttenGpKa training set	1	0	[NH3+][C@@H](O)c1ccccc1	N[C@@H](O)c1ccccc1	mol24250	NC(O)c1ccccc1