pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	0	-1	O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(O)c(O)nc2c1	O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(O)c([O-])nc2c1,O=[N+]([O-])c1cc([N+](=O)[O-])c2nc([O-])c(O)nc2c1	mol18091	O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(O)c(O)nc2c1