pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.81	AttenGpKa training set	0	-1	O=C(O)CSC(=O)SCC(=O)O	O=C([O-])CSC(=O)SCC(=O)O	mol22613	O=C(O)CSC(=O)SCC(=O)O