pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.48	AttenGpKa training set	0	-1	Nc1c(S(=O)(=O)O)ccc2c(O)cccc12	Nc1c(S(=O)(=O)[O-])ccc2c(O)cccc12	mol30756	Nc1c(S(=O)(=O)O)ccc2c(O)cccc12
9.6	AttenGpKa training set	-1	-2	Nc1c(S(=O)(=O)[O-])ccc2c(O)cccc12	Nc1c(S(=O)(=O)[O-])ccc2c([O-])cccc12	mol30756	Nc1c(S(=O)(=O)O)ccc2c(O)cccc12