pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	Datawarrior	1	0	C=C(C)C(=O)OCC[NH+](C(C)C)C(C)C	C=C(C)C(=O)OCCN(C(C)C)C(C)C	mol14284	C=C(C)C(=O)OCCN(C(C)C)C(C)C
8.7700005	OCHEM	1	0	C=C(C)C(=O)OCC[NH+](C(C)C)C(C)C	C=C(C)C(=O)OCCN(C(C)C)C(C)C	mol14284	C=C(C)C(=O)OCCN(C(C)C)C(C)C
8.77000045776367	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH+](C(C)C)C(C)C	C=C(C)C(=O)OCCN(C(C)C)C(C)C	mol14284	C=C(C)C(=O)OCCN(C(C)C)C(C)C
5.23000001907349	QSARToolbox	1	0	C=C(C)C(=O)OCC[NH+](C(C)C)C(C)C	C=C(C)C(=O)OCCN(C(C)C)C(C)C	mol14284	C=C(C)C(=O)OCCN(C(C)C)C(C)C