pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.05	IUPAC digitized pKa	0	-1	CCNc1ncnc(O)c1NCC	CCNc1ncnc([O-])c1NCC	mol7141	CCNc1ncnc(O)c1NCC
4.83	IUPAC digitized pKa	2	1	CCNc1c(O)nc[nH+]c1[NH2+]CC,CCNc1[nH+]c[nH+]c(O)c1NCC,CC[NH2+]c1ncnc(O)c1[NH2+]CC,CCNc1c([NH2+]CC)nc[nH+]c1O,CCNc1[nH+]cnc(O)c1[NH2+]CC	CCNc1c(O)ncnc1[NH2+]CC,CCNc1nc[nH+]c(O)c1NCC,CCNc1ncnc(O)c1[NH2+]CC,CCNc1[nH+]cnc(O)c1NCC	mol7141	CCNc1ncnc(O)c1NCC