pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.78	AttenGpKa training set	0	-1	Nc1cccc2c(O)ccc(S(=O)(=O)O)c12	Nc1cccc2c(O)ccc(S(=O)(=O)[O-])c12	mol30754	Nc1cccc2c(O)ccc(S(=O)(=O)O)c12
8.7	AttenGpKa training set	-1	-2	Nc1cccc2c(O)ccc(S(=O)(=O)[O-])c12	Nc1cccc2c([O-])ccc(S(=O)(=O)[O-])c12	mol30754	Nc1cccc2c(O)ccc(S(=O)(=O)O)c12