pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	IUPAC digitized pKa	0	-1	Nc1nc(N)nc(S)n1	Nc1nc(N)nc([S-])n1	mol7624	Nc1nc(N)nc(S)n1
7.8	Datawarrior	0	-1	Nc1nc(N)nc(S)n1	Nc1nc(N)nc([S-])n1	mol7624	Nc1nc(N)nc(S)n1
10.2	Datawarrior	0	-1	Nc1nc(N)nc(S)n1	Nc1nc(N)nc([S-])n1	mol7624	Nc1nc(N)nc(S)n1
7.8000002	OCHEM	0	-1	Nc1nc(N)nc(S)n1	Nc1nc(N)nc([S-])n1	mol7624	Nc1nc(N)nc(S)n1
3.6	IUPAC digitized pKa	1	0	Nc1nc([NH3+])nc(S)n1,Nc1nc(S)nc(N)[nH+]1,Nc1nc(N)[nH+]c(S)n1	Nc1nc(N)nc(S)n1	mol7624	Nc1nc(N)nc(S)n1