pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.22	IUPAC digitized pKa	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1
6.19	IUPAC digitized pKa	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1
6.09	IUPAC digitized pKa	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1
6.01	IUPAC digitized pKa	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1
6.1900001	OCHEM	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1
6.19000005722046	QSARToolbox	0	-1	Cc1cc(=O)n2[nH]cnc2n1	Cc1cc(=O)n2[n-]cnc2n1	mol9668	Cc1cc(=O)n2[nH]cnc2n1