pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	AttenGpKa training set	0	-1	Cc1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1	Cc1n[nH]c(=O)n1-c1ccc(C(=O)[O-])cc1	mol22970	Cc1n[nH]c(=O)n1-c1ccc(C(=O)O)cc1