pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	IUPAC digitized pKa	1	0	Nc1ncc([NH3+])cn1,Nc1cnc(N)[nH+]c1,Nc1cnc([NH3+])nc1	Nc1cnc(N)nc1	mol4125	Nc1cnc(N)nc1
3.63	OCHEM	1	0	Nc1ncc([NH3+])cn1,Nc1cnc(N)[nH+]c1,Nc1cnc([NH3+])nc1	Nc1cnc(N)nc1	mol4125	Nc1cnc(N)nc1
0.99	IUPAC digitized pKa	2	1	[NH3+]c1cnc([NH3+])nc1,Nc1cnc([NH3+])[nH+]c1,Nc1c[nH+]c(N)[nH+]c1	Nc1ncc([NH3+])cn1,Nc1cnc(N)[nH+]c1,Nc1cnc([NH3+])nc1	mol4125	Nc1cnc(N)nc1