pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	IUPAC digitized pKa	1	0	CCOC(=O)C[NH2+]c1nc(OCC)nc(C(=O)OCC)c1N,CCOC(=O)CNc1nc(OCC)nc(C(=O)OCC)c1[NH3+],CCOC(=O)CNc1nc(OCC)[nH+]c(C(=O)OCC)c1N,CCOC(=O)CNc1[nH+]c(OCC)nc(C(=O)OCC)c1N	CCOC(=O)CNc1nc(OCC)nc(C(=O)OCC)c1N	mol4083	CCOC(=O)CNc1nc(OCC)nc(C(=O)OCC)c1N