pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.45	AttenGpKa training set	-2	-3	COc1cc(S(=O)(=O)[O-])c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)[O-])ccc12	COc1cc(S(=O)(=O)[O-])c(C)cc1/N=N/c1c([O-])ccc2cc(S(=O)(=O)[O-])ccc12	mol31010	COc1cc(S(=O)(=O)O)c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)O)ccc12