pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.555	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.527	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.48	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.25	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.53	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.34	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.827	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.747	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.675	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.611	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.507	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.465	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.43	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.4	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.377	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.77	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.698	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.634	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.572	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.473	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.404	IUPAC digitized pKa	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.56	Organic Oxygen Acids and Nitrogen Bases	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.55	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.3999996	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.29	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.52	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.11	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.541	OCHEM	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
9.13	Baltruschat ChEMBL	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.5	Baltruschat ChEMBL	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.5600004196167	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.47999954223633	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.22999954223633	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.34000015258789	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.10999965667725	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.48999977111816	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.31999969482422	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.55500030517578	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl
8.52700042724609	QSARToolbox	0	-1	Oc1ccccc1Cl	[O-]c1ccccc1Cl	mol1407	Oc1ccccc1Cl