pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	Datawarrior	1	0	Nc1ccc(/C=N/NC(=O)c2cc[nH+]cc2)cc1,Nc1ccc(/C=[NH+]/NC(=O)c2ccncc2)cc1,[NH3+]c1ccc(/C=N/NC(=O)c2ccncc2)cc1	Nc1ccc(/C=N/NC(=O)c2ccncc2)cc1	mol14916	Nc1ccc(/C=N/NC(=O)c2ccncc2)cc1
3.20000004768372	QSARToolbox	1	0	Nc1ccc(/C=N/NC(=O)c2cc[nH+]cc2)cc1,Nc1ccc(/C=[NH+]/NC(=O)c2ccncc2)cc1,[NH3+]c1ccc(/C=N/NC(=O)c2ccncc2)cc1	Nc1ccc(/C=N/NC(=O)c2ccncc2)cc1	mol14916	Nc1ccc(/C=N/NC(=O)c2ccncc2)cc1