pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	IUPAC digitized pKa	1	0	C[NH+](C)Cc1cccc([N+](=O)[O-])c1	CN(C)Cc1cccc([N+](=O)[O-])c1	mol1548	CN(C)Cc1cccc([N+](=O)[O-])c1
8.0775	AttenGpKa training set	1	0	C[NH+](C)Cc1cccc([N+](=O)[O-])c1	CN(C)Cc1cccc([N+](=O)[O-])c1	mol1548	CN(C)Cc1cccc([N+](=O)[O-])c1