pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.93	AttenGpKa training set	0	-1	OCCSC(=S)Nc1ccc(Br)cc1	OCCSC(=S)[N-]c1ccc(Br)cc1	mol27595	OCCSC(=S)Nc1ccc(Br)cc1