pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	Sc1ncnc2[nH]nnc12	[S-]c1ncnc2[nH]nnc12,Sc1ncnc2[n-]nnc12	mol8356	Sc1ncnc2[nH]nnc12
4.5999999	OCHEM	0	-1	Sc1ncnc2[nH]nnc12	[S-]c1ncnc2[nH]nnc12,Sc1ncnc2[n-]nnc12	mol8356	Sc1ncnc2[nH]nnc12
7.16	IUPAC digitized pKa	-1	-2	[S-]c1ncnc2[nH]nnc12,Sc1ncnc2[n-]nnc12	[S-]c1ncnc2[n-]nnc12	mol8356	Sc1ncnc2[nH]nnc12