pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.72	IUPAC digitized pKa	1	0	COc1ccc2nc(N)[nH+]cc2c1,COc1ccc2nc([NH3+])ncc2c1,COc1ccc2[nH+]c(N)ncc2c1	COc1ccc2nc(N)ncc2c1	mol7838	COc1ccc2nc(N)ncc2c1
4.71999979019165	QSARToolbox	1	0	COc1ccc2nc(N)[nH+]cc2c1,COc1ccc2nc([NH3+])ncc2c1,COc1ccc2[nH+]c(N)ncc2c1	COc1ccc2nc(N)ncc2c1	mol7838	COc1ccc2nc(N)ncc2c1