pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	Datawarrior	0	-1	CC(=O)N1C[S@@+]([O-])C[C@@H]1C(=O)O	CC(=O)N1C[S@@+]([O-])C[C@@H]1C(=O)[O-]	mol12645	CC(=O)N1C[S+]([O-])CC1C(=O)O