pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.12	IUPAC digitized pKa	0	-1	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c21	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c([O-])c21	mol11312	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c21
4.98	IUPAC digitized pKa	0	-1	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c21	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c([O-])c21	mol11312	O=C1CCCc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c21