pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	IUPAC digitized pKa	1	0	COc1cccc2cnc(N)[nH+]c12,COc1cccc2cnc([NH3+])nc12,COc1cccc2c[nH+]c(N)nc12	COc1cccc2cnc(N)nc12	mol7840	COc1cccc2cnc(N)nc12
4.57999992370606	QSARToolbox	1	0	COc1cccc2cnc(N)[nH+]c12,COc1cccc2cnc([NH3+])nc12,COc1cccc2c[nH+]c(N)nc12	COc1cccc2cnc(N)nc12	mol7840	COc1cccc2cnc(N)nc12