pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	IUPAC digitized pKa	1	0	COc1ccc2nc[nH+]cc2c1,COc1ccc2[nH+]cncc2c1	COc1ccc2ncncc2c1	mol4636	COc1ccc2ncncc2c1
2.82999992370605	QSARToolbox	1	0	COc1ccc2nc[nH+]cc2c1,COc1ccc2[nH+]cncc2c1	COc1ccc2ncncc2c1	mol4636	COc1ccc2ncncc2c1
2.09999990463257	QSARToolbox	1	0	COc1ccc2nc[nH+]cc2c1,COc1ccc2[nH+]cncc2c1	COc1ccc2ncncc2c1	mol4636	COc1ccc2ncncc2c1
2.85	AttenGpKa training set	1	0	COc1ccc2nc[nH+]cc2c1,COc1ccc2[nH+]cncc2c1	COc1ccc2ncncc2c1	mol4636	COc1ccc2ncncc2c1