pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	2	1	C[NH+](C)CCCCCC[NH2+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12,C[NH+](C)CCCCCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	C[NH+](C)CCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12,CN(C)CCCCCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12,CN(C)CCCCCC[NH2+]c1c2ccccc2nc2cccc([N+](=O)[O-])c12	mol19924	CN(C)CCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12