pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	QSARToolbox	2	1	O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCC2)c1	O=C(C[n+]1cccc(C=N[O-])c1)C[n+]1cccc(C(=O)NC2CCCC2)c1	mol37044	O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCC2)c1