pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.35	IUPAC digitized pKa	1	0	Cc1cc(N[NH3+])nc2ccccc12,Cc1cc([NH2+]N)nc2ccccc12,Cc1cc(NN)[nH+]c2ccccc12	Cc1cc(NN)nc2ccccc12	mol7748	Cc1cc(NN)nc2ccccc12
8.3500004	OCHEM	1	0	Cc1cc(N[NH3+])nc2ccccc12,Cc1cc([NH2+]N)nc2ccccc12,Cc1cc(NN)[nH+]c2ccccc12	Cc1cc(NN)nc2ccccc12	mol7748	Cc1cc(NN)nc2ccccc12
2.8	IUPAC digitized pKa	2	1	Cc1cc([NH2+]N)[nH+]c2ccccc12,Cc1cc(N[NH3+])[nH+]c2ccccc12,Cc1cc([NH2+][NH3+])nc2ccccc12	Cc1cc(N[NH3+])nc2ccccc12,Cc1cc([NH2+]N)nc2ccccc12,Cc1cc(NN)[nH+]c2ccccc12	mol7748	Cc1cc(NN)nc2ccccc12
2.79999995231628	QSARToolbox	2	1	Cc1cc([NH2+]N)[nH+]c2ccccc12,Cc1cc(N[NH3+])[nH+]c2ccccc12,Cc1cc([NH2+][NH3+])nc2ccccc12	Cc1cc(N[NH3+])nc2ccccc12,Cc1cc([NH2+]N)nc2ccccc12,Cc1cc(NN)[nH+]c2ccccc12	mol7748	Cc1cc(NN)nc2ccccc12