pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3199999	OCHEM	2	1	CC(=O)c1ccc(N=Nc2c([NH3+])n[nH]c2[NH3+])cc1,CC(=O)c1ccc([NH+]=Nc2c(N)n[nH]c2[NH3+])cc1,CC(=O)c1ccc([NH+]=Nc2c([NH3+])n[nH]c2N)cc1,CC(=O)c1ccc([NH+]=[NH+]c2c(N)n[nH]c2N)cc1	CC(=O)c1ccc(N=Nc2c(N)[nH][nH+]c2N)cc1,CC(=O)c1ccc(N=Nc2c(N)n[nH]c2[NH3+])cc1,CC(=O)c1ccc(N=[NH+]c2c(N)n[nH]c2N)cc1,CC(=O)c1ccc(N=Nc2c([NH3+])n[nH]c2N)cc1	mol32593	CC(=O)c1ccc(N=Nc2c(N)n[nH]c2N)cc1