pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.39	IUPAC digitized pKa	1	0	[NH3+]c1ncnc2ncc(O)nc12,Nc1[nH+]cnc2ncc(O)nc12,Nc1ncnc2[nH+]cc(O)nc12,Nc1nc[nH+]c2ncc(O)nc12,Nc1ncnc2ncc(O)[nH+]c12	Nc1ncnc2ncc(O)nc12	mol8084	Nc1ncnc2ncc(O)nc12