pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	1	0	COC(=O)C1=CCC[NH2+]C1	COC(=O)C1=CCCNC1	mol13039	COC(=O)C1=CCCNC1
8.6999998	OCHEM	1	0	COC(=O)C1=CCC[NH2+]C1	COC(=O)C1=CCCNC1	mol13039	COC(=O)C1=CCCNC1
8.69999980926514	QSARToolbox	1	0	COC(=O)C1=CCC[NH2+]C1	COC(=O)C1=CCCNC1	mol13039	COC(=O)C1=CCCNC1