pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	Datawarrior	1	0	N=C(N)Nc1nc([NH3+])nc(NC(=N)N)n1,N=C(N)Nc1nc(N)nc(NC(N)=[NH2+])n1,N=C(N)Nc1nc(N)nc(NC(=N)N)[nH+]1,N=C(N)Nc1nc(N)[nH+]c(NC(=N)N)n1	N=C(N)Nc1nc(N)nc(NC(=N)N)n1	mol4262	N=C(N)Nc1nc(N)nc(NC(=N)N)n1
9.8000002	OCHEM	1	0	N=C(N)Nc1nc([NH3+])nc(NC(=N)N)n1,N=C(N)Nc1nc(N)nc(NC(N)=[NH2+])n1,N=C(N)Nc1nc(N)nc(NC(=N)N)[nH+]1,N=C(N)Nc1nc(N)[nH+]c(NC(=N)N)n1	N=C(N)Nc1nc(N)nc(NC(=N)N)n1	mol4262	N=C(N)Nc1nc(N)nc(NC(=N)N)n1
7.0	Datawarrior	2	1	NC(=[NH2+])Nc1nc(N)nc(NC(N)=[NH2+])n1	N=C(N)Nc1nc([NH3+])nc(NC(=N)N)n1,N=C(N)Nc1nc(N)nc(NC(N)=[NH2+])n1,N=C(N)Nc1nc(N)nc(NC(=N)N)[nH+]1,N=C(N)Nc1nc(N)[nH+]c(NC(=N)N)n1	mol4262	N=C(N)Nc1nc(N)nc(NC(=N)N)n1