pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	OCHEM	1	0	COc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1,COc1ccccc1C(=[NH+]CCCN(C)C)c1ccccc1	COc1ccccc1C(=NCCCN(C)C)c1ccccc1	mol32825	COc1ccccc1C(=NCCCN(C)C)c1ccccc1
4.61999988555908	QSARToolbox	2	1	COc1ccccc1C(=[NH+]CCC[NH+](C)C)c1ccccc1	COc1ccccc1C(=NCCC[NH+](C)C)c1ccccc1,COc1ccccc1C(=[NH+]CCCN(C)C)c1ccccc1	mol32825	COc1ccccc1C(=NCCCN(C)C)c1ccccc1