pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.34	IUPAC digitized pKa	1	0	Cc1ccc(-c2cnc(N)[nH+]c2)cc1,Cc1ccc(-c2cnc([NH3+])nc2)cc1	Cc1ccc(-c2cnc(N)nc2)cc1	mol7123	Cc1ccc(-c2cnc(N)nc2)cc1
3.14	OCHEM	1	0	Cc1ccc(-c2cnc(N)[nH+]c2)cc1,Cc1ccc(-c2cnc([NH3+])nc2)cc1	Cc1ccc(-c2cnc(N)nc2)cc1	mol7123	Cc1ccc(-c2cnc(N)nc2)cc1
3.33999991416931	QSARToolbox	1	0	Cc1ccc(-c2cnc(N)[nH+]c2)cc1,Cc1ccc(-c2cnc([NH3+])nc2)cc1	Cc1ccc(-c2cnc(N)nc2)cc1	mol7123	Cc1ccc(-c2cnc(N)nc2)cc1