pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	IUPAC digitized pKa	1	0	CCO[C@@H]1CNc2c([N+](=O)[O-])c(=O)[nH+]c(N)n21,CCO[C@@H]1C[NH2+]c2c([N+](=O)[O-])c(=O)nc(N)n21,CCO[C@@H]1CNc2c([N+](=O)[O-])c(=O)nc([NH3+])n21	CCO[C@@H]1CNc2c([N+](=O)[O-])c(=O)nc(N)n21	mol7994	CCOC1CNc2c([N+](=O)[O-])c(=O)nc(N)n21