pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	0	-1	OCCSC(=S)Nc1ccccc1	OCCSC(=S)[N-]c1ccccc1	mol27553	OCCSC(=S)Nc1ccccc1