pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	IUPAC digitized pKa	0	-1	Nc1nc(O)c([N+](=O)[O-])c(NCC=O)n1	Nc1nc([O-])c([N+](=O)[O-])c(NCC=O)n1	mol7071	Nc1nc(O)c([N+](=O)[O-])c(NCC=O)n1
2.34	IUPAC digitized pKa	1	0	Nc1nc(NCC=O)c([N+](=O)[O-])c(O)[nH+]1,Nc1nc(O)c([N+](=O)[O-])c([NH2+]CC=O)n1,[NH3+]c1nc(O)c([N+](=O)[O-])c(NCC=O)n1,Nc1nc(O)c([N+](=O)[O-])c(NCC=O)[nH+]1	Nc1nc(O)c([N+](=O)[O-])c(NCC=O)n1	mol7071	Nc1nc(O)c([N+](=O)[O-])c(NCC=O)n1