pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.26	OCHEM	0	-1	O=C(NCCS)NCCS	O=C(NCC[S-])NCCS	mol430	O=C(NCCS)NCCS
10.0	AttenGpKa training set	0	-1	O=C(NCCS)NCCS	O=C(NCC[S-])NCCS	mol430	O=C(NCCS)NCCS