pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.64	OCHEM	1	0	CC[NH2+]CCOC(c1ccccc1)c1ccccc1	CCNCCOC(c1ccccc1)c1ccccc1	mol33163	CCNCCOC(c1ccccc1)c1ccccc1
8.64000034332275	QSARToolbox	1	0	CC[NH2+]CCOC(c1ccccc1)c1ccccc1	CCNCCOC(c1ccccc1)c1ccccc1	mol33163	CCNCCOC(c1ccccc1)c1ccccc1