pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.32	Datawarrior	2	1	CC(=O)c1ccc(/[NH+]=N/c2c([NH3+])n[nH]c2N)cc1,CC(=O)c1ccc(/[NH+]=[NH+]/c2c(N)n[nH]c2N)cc1,CC(=O)c1ccc(/[NH+]=N/c2c(N)n[nH]c2[NH3+])cc1	CC(=O)c1ccc(/N=N/c2c([NH3+])n[nH]c2N)cc1,CC(=O)c1ccc(/N=N/c2c(N)[nH][nH+]c2N)cc1,CC(=O)c1ccc(/N=N/c2c(N)n[nH]c2[NH3+])cc1,CC(=O)c1ccc(/N=[NH+]/c2c(N)n[nH]c2N)cc1	mol14943	CC(=O)c1ccc(/N=N/c2c(N)n[nH]c2N)cc1
3.3199999332428	QSARToolbox	2	1	CC(=O)c1ccc(/[NH+]=N/c2c([NH3+])n[nH]c2N)cc1,CC(=O)c1ccc(/[NH+]=[NH+]/c2c(N)n[nH]c2N)cc1,CC(=O)c1ccc(/[NH+]=N/c2c(N)n[nH]c2[NH3+])cc1	CC(=O)c1ccc(/N=N/c2c([NH3+])n[nH]c2N)cc1,CC(=O)c1ccc(/N=N/c2c(N)[nH][nH+]c2N)cc1,CC(=O)c1ccc(/N=N/c2c(N)n[nH]c2[NH3+])cc1,CC(=O)c1ccc(/N=[NH+]/c2c(N)n[nH]c2N)cc1	mol14943	CC(=O)c1ccc(/N=N/c2c(N)n[nH]c2N)cc1