pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.36	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)O)c2c(O)cccc12,[NH3+]c1ccc(S(=O)(=O)[O-])c2c(O)cccc12	Nc1ccc(S(=O)(=O)[O-])c2c(O)cccc12	mol30757	Nc1ccc(S(=O)(=O)O)c2c(O)cccc12
11.7	AttenGpKa training set	-1	-2	Nc1ccc(S(=O)(=O)[O-])c2c(O)cccc12	Nc1ccc(S(=O)(=O)[O-])c2c([O-])cccc12	mol30757	Nc1ccc(S(=O)(=O)O)c2c(O)cccc12