pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	Organic Oxygen Acids and Nitrogen Bases	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1
2.8199999	OCHEM	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1
3.07	OCHEM	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1
2.8199999332428	QSARToolbox	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1
3.3199999332428	QSARToolbox	1	0	Nc1ccc(N=[NH+]c2ccccc2)cc1,[NH3+]c1ccc(N=Nc2ccccc2)cc1	Nc1ccc(N=Nc2ccccc2)cc1	mol21798	Nc1ccc(N=Nc2ccccc2)cc1