pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.43	IUPAC digitized pKa	1	0	CNc1nc(C)c(C)nc1C(N)=[NH2+],CNc1[nH+]c(C)c(C)nc1C(=N)N,C[NH2+]c1nc(C)c(C)nc1C(=N)N	CNc1nc(C)c(C)nc1C(=N)N	mol3972	CNc1nc(C)c(C)nc1C(=N)N
9.43000030517578	QSARToolbox	1	0	CNc1nc(C)c(C)nc1C(N)=[NH2+],CNc1[nH+]c(C)c(C)nc1C(=N)N,C[NH2+]c1nc(C)c(C)nc1C(=N)N	CNc1nc(C)c(C)nc1C(=N)N	mol3972	CNc1nc(C)c(C)nc1C(=N)N
9.45	AttenGpKa training set	1	0	CNc1nc(C)c(C)nc1C(N)=[NH2+],CNc1[nH+]c(C)c(C)nc1C(=N)N,C[NH2+]c1nc(C)c(C)nc1C(=N)N	CNc1nc(C)c(C)nc1C(=N)N	mol3972	CNc1nc(C)c(C)nc1C(=N)N