pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.3	AttenGpKa training set	1	0	NC(=[OH+])Nc1ccccc1	NC(=O)Nc1ccccc1	mol5831	NC(=O)Nc1ccccc1
16.0	AttenGpKa training set	-1	-2	[NH-]C(=O)Nc1ccccc1,NC(=O)[N-]c1ccccc1	[NH-]C(=O)[N-]c1ccccc1	mol5831	NC(=O)Nc1ccccc1