pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.46	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
7.86	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
7.58	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
7.4	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
7.15	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
7.22	IUPAC digitized pKa	0	-1	O=C([O-])Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]cn1	mol8549	O=C(O)Cc1c[nH]cn1
2.84	IUPAC digitized pKa	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1
3.13	IUPAC digitized pKa	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1
3.15	IUPAC digitized pKa	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1
3.24	IUPAC digitized pKa	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1
3.25	IUPAC digitized pKa	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1
3.29999995231628	QSARToolbox	1	0	O=C(O)Cc1c[nH]c[nH+]1	O=C([O-])Cc1c[nH]c[nH+]1	mol8549	O=C(O)Cc1c[nH]cn1