pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.72	AttenGpKa training set	0	-1	CC(=O)[C@@H](C#N)c1ccccc1	CC(=O)[C-](C#N)c1ccccc1	mol27697	CC(=O)C(C#N)c1ccccc1