pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	OCHEM	0	-1	CCCCCCCCCCCCCCCCSC[C@@H](O)[C@@H]1OC(O)=C(OC)C1=O	CCCCCCCCCCCCCCCCSC[C@@H](O)[C@@H]1OC([O-])=C(OC)C1=O	mol32242	CCCCCCCCCCCCCCCCSCC(O)C1OC(O)=C(OC)C1=O