pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.63000011444092	QSARToolbox	0	-1	N#CC(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1	N#C[C-](C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCOCC1	mol37089	N#CC(C#N)C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1