pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23	IUPAC digitized pKa	1	0	CCNc1nc(N)nc(N)[nH+]1,CC[NH2+]c1nc(N)nc(N)n1,CCNc1nc(N)[nH+]c(N)n1,CCNc1nc(N)nc([NH3+])n1	CCNc1nc(N)nc(N)n1	mol4270	CCNc1nc(N)nc(N)n1
8.77000045776367	QSARToolbox	1	0	CCNc1nc(N)nc(N)[nH+]1,CC[NH2+]c1nc(N)nc(N)n1,CCNc1nc(N)[nH+]c(N)n1,CCNc1nc(N)nc([NH3+])n1	CCNc1nc(N)nc(N)n1	mol4270	CCNc1nc(N)nc(N)n1
8.67000007629395	QSARToolbox	1	0	CCNc1nc(N)nc(N)[nH+]1,CC[NH2+]c1nc(N)nc(N)n1,CCNc1nc(N)[nH+]c(N)n1,CCNc1nc(N)nc([NH3+])n1	CCNc1nc(N)nc(N)n1	mol4270	CCNc1nc(N)nc(N)n1