pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.1500001	OCHEM	2	1	O=[N+]([O-])c1ccc(C=Cc2[nH+][nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(C=Cc2n[nH+][nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(C=Cc2[nH+]n[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1	O=[N+]([O-])c1ccc(C=Cc2nn[nH+]n2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(C=Cc2[nH+]nnn2-c2ccc([N+](=O)[O-])cc2)cc1,O=[N+]([O-])c1ccc(C=Cc2n[nH+]nn2-c2ccc([N+](=O)[O-])cc2)cc1	mol32630	O=[N+]([O-])c1ccc(C=Cc2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1