pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.25	IUPAC digitized pKa	0	-1	O=c1[nH]cc(I)c(=O)[nH]1	O=c1[n-]cc(I)c(=O)[nH]1,O=c1[n-]c(=O)c(I)c[nH]1	mol9262	O=c1[nH]cc(I)c(=O)[nH]1
8.13000011444092	QSARToolbox	0	-1	O=c1[nH]cc(I)c(=O)[nH]1	O=c1[n-]cc(I)c(=O)[nH]1,O=c1[n-]c(=O)c(I)c[nH]1	mol9262	O=c1[nH]cc(I)c(=O)[nH]1
8.13	AttenGpKa training set	0	-1	O=c1[nH]cc(I)c(=O)[nH]1	O=c1[n-]cc(I)c(=O)[nH]1,O=c1[n-]c(=O)c(I)c[nH]1	mol9262	O=c1[nH]cc(I)c(=O)[nH]1