pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	AttenGpKa training set	0	-1	Cn1cc(C(=O)O)nc2c(=O)n(C)c(=O)nc1-2	Cn1cc(C(=O)[O-])nc2c(=O)n(C)c(=O)nc1-2	mol26292	Cn1cc(C(=O)O)nc2c(=O)n(C)c(=O)nc1-2
