pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.83	AttenGpKa training set	0	-1	CC(=O)[C@H](C)C#N	CC(=O)[C-](C)C#N	mol27656	CC(=O)C(C)C#N