pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	IUPAC digitized pKa	2	1	CN(C)c1ccc2[nH+]c3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1,CN(C)c1ccc2nc3ccc([NH+](C)C)cc3[s+]c2c1[N+](=O)[O-],CN(C)c1ccc2nc3ccc([NH+](C)C)c([N+](=O)[O-])c3[s+]c2c1	CN(C)c1ccc2nc3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1	mol5755	CN(C)c1ccc2nc3ccc(N(C)C)c([N+](=O)[O-])c3[s+]c2c1