pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Datawarrior	1	0	COc1cccc(C(=O)CC[NH+]2CCOCC2)c1	COc1cccc(C(=O)CCN2CCOCC2)c1	mol14966	COc1cccc(C(=O)CCN2CCOCC2)c1
7.0999999	OCHEM	1	0	COc1cccc(C(=O)CC[NH+]2CCOCC2)c1	COc1cccc(C(=O)CCN2CCOCC2)c1	mol14966	COc1cccc(C(=O)CCN2CCOCC2)c1
7.09999990463257	QSARToolbox	1	0	COc1cccc(C(=O)CC[NH+]2CCOCC2)c1	COc1cccc(C(=O)CCN2CCOCC2)c1	mol14966	COc1cccc(C(=O)CCN2CCOCC2)c1