pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.41	IUPAC digitized pKa	1	0	CNc1nc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1,C[NH2+]c1nc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1	CNc1nc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1	mol7418	CNc1nc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1