pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.76	IUPAC digitized pKa	0	-1	Sc1nc2cnc(Cl)cc2[nH]1	Sc1nc2cnc(Cl)cc2[n-]1,[S-]c1nc2cnc(Cl)cc2[nH]1	mol7974	Sc1nc2cnc(Cl)cc2[nH]1
0.81	IUPAC digitized pKa	1	0	Sc1nc2c[nH+]c(Cl)cc2[nH]1,Sc1[nH]c2cc(Cl)ncc2[nH+]1	Sc1nc2cnc(Cl)cc2[nH]1	mol7974	Sc1nc2cnc(Cl)cc2[nH]1
13.4	IUPAC digitized pKa	-1	-2	Sc1nc2cnc(Cl)cc2[n-]1,[S-]c1nc2cnc(Cl)cc2[nH]1	[S-]c1nc2cnc(Cl)cc2[n-]1	mol7974	Sc1nc2cnc(Cl)cc2[nH]1