pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	0	-1	O=c1[nH]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[nH]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
9.67	Datawarrior	0	-1	O=c1[nH]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[nH]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
9.6700001	OCHEM	0	-1	O=c1[nH]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[nH]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
9.52000045776367	QSARToolbox	0	-1	O=c1[nH]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[nH]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
9.75	QSARToolbox	0	-1	O=c1[nH]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[nH]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
12.3	Datawarrior	-1	-2	O=c1[n-]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[n-]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O
12.3000001907349	QSARToolbox	-1	-2	O=c1[n-]c2ccccc2[nH]c1=O	O=c1[n-]c2ccccc2[n-]c1=O	mol10497	O=c1[nH]c2ccccc2[nH]c1=O