pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	AttenGpKa training set	0	-1	CCOC(=O)[C@H](Br)C#N	CCOC(=O)[C-](Br)C#N	mol27447	CCOC(=O)C(Br)C#N