pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.71	IUPAC digitized pKa	1	0	N[NH2+]c1ccc2cccnc2c1,[NH3+]Nc1ccc2cccnc2c1,NNc1ccc2ccc[nH+]c2c1	NNc1ccc2cccnc2c1	mol7746	NNc1ccc2cccnc2c1
6.71000003814697	QSARToolbox	1	0	N[NH2+]c1ccc2cccnc2c1,[NH3+]Nc1ccc2cccnc2c1,NNc1ccc2ccc[nH+]c2c1	NNc1ccc2cccnc2c1	mol7746	NNc1ccc2cccnc2c1
2.8	IUPAC digitized pKa	2	1	[NH3+][NH2+]c1ccc2cccnc2c1	N[NH2+]c1ccc2cccnc2c1,[NH3+]Nc1ccc2cccnc2c1,NNc1ccc2ccc[nH+]c2c1	mol7746	NNc1ccc2cccnc2c1
2.79999995231628	QSARToolbox	2	1	[NH3+][NH2+]c1ccc2cccnc2c1	N[NH2+]c1ccc2cccnc2c1,[NH3+]Nc1ccc2cccnc2c1,NNc1ccc2ccc[nH+]c2c1	mol7746	NNc1ccc2cccnc2c1