pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.97	IUPAC digitized pKa	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.55	IUPAC digitized pKa	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.9	IUPAC digitized pKa	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.935	OCHEM	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.81	OCHEM	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.80999994277954	QSARToolbox	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.98000001907349	QSARToolbox	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.96999979019165	QSARToolbox	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.90000009536743	QSARToolbox	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
6.55000019073486	QSARToolbox	0	-1	O=C(NO)C(=O)NO	O=C(N[O-])C(=O)NO	mol8949	O=C(NO)C(=O)NO
9.0	IUPAC digitized pKa	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
8.63	IUPAC digitized pKa	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
8.5	QSARToolbox	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
8.97999954223633	QSARToolbox	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
10.1999998092651	QSARToolbox	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
8.63000011444092	QSARToolbox	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO
8.65999984741211	QSARToolbox	-1	-2	O=C(N[O-])C(=O)NO	O=C(N[O-])C(=O)N[O-]	mol8949	O=C(NO)C(=O)NO