pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.88	IUPAC digitized pKa	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1
3.91	IUPAC digitized pKa	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1
3.9	OCHEM	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1
5.88000011444092	QSARToolbox	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1
3.91000008583069	QSARToolbox	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1
8.11999988555908	QSARToolbox	1	0	Nc1ncnc([NH3+])n1,Nc1nc[nH+]c(N)n1,Nc1ncnc(N)[nH+]1	Nc1ncnc(N)n1	mol4267	Nc1ncnc(N)n1