pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	QSARToolbox	2	1	COc1cc(OC)c2[nH+]ccc(NCCC[NH+](C)C)c2c1[N+](=O)[O-],COc1cc(OC)c2nccc([NH2+]CCC[NH+](C)C)c2c1[N+](=O)[O-]	COc1cc(OC)c2nccc([NH2+]CCCN(C)C)c2c1[N+](=O)[O-],COc1cc(OC)c2[nH+]ccc(NCCCN(C)C)c2c1[N+](=O)[O-],COc1cc(OC)c2nccc(NCCC[NH+](C)C)c2c1[N+](=O)[O-]	mol37067	COc1cc(OC)c2nccc(NCCCN(C)C)c2c1[N+](=O)[O-]