pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.5	QSARToolbox	0	-1	O=C([O-])[C@@H]1CS[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)[NH2+]1	O=C([O-])[C@@H]1CS[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)N1	mol37781	O=C(O)[C@@H]1CSC([C@H](O)[C@@H](O)[C@@H](O)CO)N1