pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19999980926514	QSARToolbox	2	1	N=C1C=CC(=[NH+]c2ccc(Cl)cc2[NH3+])C=C1,[NH2+]=C1C=CC(=Nc2ccc(Cl)cc2[NH3+])C=C1,Nc1cc(Cl)ccc1[NH+]=C1C=CC(=[NH2+])C=C1	Nc1cc(Cl)ccc1N=C1C=CC(=[NH2+])C=C1,N=C1C=CC(=Nc2ccc(Cl)cc2[NH3+])C=C1,N=C1C=CC(=[NH+]c2ccc(Cl)cc2N)C=C1	mol35519	N=C1C=CC(=Nc2ccc(Cl)cc2N)C=C1
