pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.89	AttenGpKa training set	0	-1	CCOC(=O)[C@@H](C#N)c1c(F)c(F)c(F)c(F)c1F	CCOC(=O)[C-](C#N)c1c(F)c(F)c(F)c(F)c1F	mol27778	CCOC(=O)C(C#N)c1c(F)c(F)c(F)c(F)c1F