pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.51	IUPAC digitized pKa	1	0	C[NH+](C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	mol6280	CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12
-2.59	AttenGpKa training set	1	0	C[NH+](C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12	mol6280	CN(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12