pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.87	AttenGpKa training set	0	-1	[NH3+]c1cccc2c(O)c(S(=O)(=O)[O-])ccc12,Nc1cccc2c(O)c(S(=O)(=O)O)ccc12	Nc1cccc2c(O)c(S(=O)(=O)[O-])ccc12	mol30755	Nc1cccc2c(O)c(S(=O)(=O)O)ccc12
9.0	AttenGpKa training set	-1	-2	Nc1cccc2c(O)c(S(=O)(=O)[O-])ccc12	Nc1cccc2c([O-])c(S(=O)(=O)[O-])ccc12	mol30755	Nc1cccc2c(O)c(S(=O)(=O)O)ccc12