pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	0	-1	SCCSCCS	[S-]CCSCCS	mol28210	SCCSCCS
9.09	AttenGpKa training set	-1	-2	[S-]CCSCCS	[S-]CCSCC[S-]	mol28210	SCCSCCS