pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	0	-1	O=C1S[C@@H]([C@H](O)CO)C(O)=C1O	O=C1S[C@@H]([C@H](O)CO)C([O-])=C1O,O=C1S[C@@H]([C@H](O)CO)C(O)=C1[O-]	mol37806	O=C1S[C@@H]([C@H](O)CO)C(O)=C1O