pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.68	IUPAC digitized pKa	0	-1	CC(=O)CC(=O)Nc1ccccc1	CC(=O)[CH-]C(=O)Nc1ccccc1,CC(=O)CC(=O)[N-]c1ccccc1	mol11356	CC(=O)CC(=O)Nc1ccccc1
9.94	Datawarrior	0	-1	CC(=O)CC(=O)Nc1ccccc1	CC(=O)[CH-]C(=O)Nc1ccccc1,CC(=O)CC(=O)[N-]c1ccccc1	mol11356	CC(=O)CC(=O)Nc1ccccc1
9.9399996	OCHEM	0	-1	CC(=O)CC(=O)Nc1ccccc1	CC(=O)[CH-]C(=O)Nc1ccccc1,CC(=O)CC(=O)[N-]c1ccccc1	mol11356	CC(=O)CC(=O)Nc1ccccc1
10.46	AttenGpKa training set	0	-1	CC(=O)CC(=O)Nc1ccccc1	CC(=O)[CH-]C(=O)Nc1ccccc1,CC(=O)CC(=O)[N-]c1ccccc1	mol11356	CC(=O)CC(=O)Nc1ccccc1