pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	AttenGpKa training set	0	-1	Cc1ccc(C(=O)NC#N)cc1	Cc1ccc(C(=O)[N-]C#N)cc1	mol27200	Cc1ccc(C(=O)NC#N)cc1