pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6	IUPAC digitized pKa	0	-1	Sc1ncc[nH]1	Sc1ncc[n-]1,[S-]c1ncc[nH]1	mol6678	Sc1ncc[nH]1
-1.6	IUPAC digitized pKa	1	0	Sc1[nH]cc[nH+]1	Sc1ncc[nH]1	mol6678	Sc1ncc[nH]1