pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.25	IUPAC digitized pKa	1	0	C[n+]1ccccc1C(=O)NO	C[n+]1ccccc1C(=O)N[O-]	mol10368	C[n+]1ccccc1C(=O)NO
5.5	IUPAC digitized pKa	1	0	C[n+]1ccccc1C(=O)NO	C[n+]1ccccc1C(=O)N[O-]	mol10368	C[n+]1ccccc1C(=O)NO
5.73000001907349	QSARToolbox	1	0	C[n+]1ccccc1C(=O)NO	C[n+]1ccccc1C(=O)N[O-]	mol10368	C[n+]1ccccc1C(=O)NO
5.73	AttenGpKa training set	1	0	C[n+]1ccccc1C(=O)NO	C[n+]1ccccc1C(=O)N[O-]	mol10368	C[n+]1ccccc1C(=O)NO