pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.05	AttenGpKa training set	0	-1	Nc1ccc(Br)c(C(=O)O)c1,[NH3+]c1ccc(Br)c(C(=O)[O-])c1	Nc1ccc(Br)c(C(=O)[O-])c1	mol22947	Nc1ccc(Br)c(C(=O)O)c1
1.87	AttenGpKa training set	1	0	[NH3+]c1ccc(Br)c(C(=O)O)c1	Nc1ccc(Br)c(C(=O)O)c1,[NH3+]c1ccc(Br)c(C(=O)[O-])c1	mol22947	Nc1ccc(Br)c(C(=O)O)c1