pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	1	0	CCOc1ccc2c(N)c3cc([N+](=O)[O-])ccc3[nH+]c2c1,CCOc1ccc2c([NH3+])c3cc([N+](=O)[O-])ccc3nc2c1	CCOc1ccc2c(N)c3cc([N+](=O)[O-])ccc3nc2c1	mol4981	CCOc1ccc2c(N)c3cc([N+](=O)[O-])ccc3nc2c1