pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.94	OCHEM	1	0	CC(=O)Nc1ccc2nc(OCC[NH+](C)C)ccc2c1	CC(=O)Nc1ccc2nc(OCCN(C)C)ccc2c1	mol18350	CC(=O)Nc1ccc2nc(OCCN(C)C)ccc2c1
4.64	OCHEM	2	1	CC(=O)Nc1ccc2[nH+]c(OCC[NH+](C)C)ccc2c1	CC(=O)Nc1ccc2nc(OCC[NH+](C)C)ccc2c1	mol18350	CC(=O)Nc1ccc2nc(OCCN(C)C)ccc2c1