pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.5	Datawarrior	1	0	CNC(=[SH+])c1ccccc1	CNC(=S)c1ccccc1	mol13030	CNC(=S)c1ccccc1
-2.61	AttenGpKa training set	1	0	CNC(=[SH+])c1ccccc1	CNC(=S)c1ccccc1	mol13030	CNC(=S)c1ccccc1