pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	AttenGpKa training set	0	-1	CCOC(=O)[C@@H](C#N)[C@](C#N)(CC)c1ccccc1	CCOC(=O)[C-](C#N)[C@](C#N)(CC)c1ccccc1	mol27301	CCOC(=O)C(C#N)C(C#N)(CC)c1ccccc1