pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	AttenGpKa training set	0	-1	[NH3+]c1cccc2c(O)cc(S(=O)(=O)[O-])cc12,Nc1cccc2c(O)cc(S(=O)(=O)O)cc12	Nc1cccc2c(O)cc(S(=O)(=O)[O-])cc12	mol30760	Nc1cccc2c(O)cc(S(=O)(=O)O)cc12
9.0	AttenGpKa training set	-1	-2	Nc1cccc2c(O)cc(S(=O)(=O)[O-])cc12	Nc1cccc2c([O-])cc(S(=O)(=O)[O-])cc12	mol30760	Nc1cccc2c(O)cc(S(=O)(=O)O)cc12