pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	0	-1	CCn1ccc(O)nc1=S	CCn1ccc([O-])nc1=S	mol13005	CCn1ccc(O)nc1=S
8.6999998	OCHEM	0	-1	CCn1ccc(O)nc1=S	CCn1ccc([O-])nc1=S	mol13005	CCn1ccc(O)nc1=S