pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	IUPAC digitized pKa	1	0	COc1cccc2cc3ccccc3[nH+]c12	COc1cccc2cc3ccccc3nc12	mol8378	COc1cccc2cc3ccccc3nc12
5.26000022888184	QSARToolbox	1	0	COc1cccc2cc3ccccc3[nH+]c12	COc1cccc2cc3ccccc3nc12	mol8378	COc1cccc2cc3ccccc3nc12
4.7	AttenGpKa training set	1	0	COc1cccc2cc3ccccc3[nH+]c12	COc1cccc2cc3ccccc3nc12	mol8378	COc1cccc2cc3ccccc3nc12