pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	AttenGpKa training set	0	-1	CSc1nc(O)c([N+](=O)[O-])c(O)n1	CSc1nc([O-])c([N+](=O)[O-])c(O)n1	mol25809	CSc1nc(O)c([N+](=O)[O-])c(O)n1