pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4399995803833	QSARToolbox	0	-1	O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCO)OCc1ccccc1	O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]CCO)OCc1ccccc1,O=C(C[C@H]([N-]C(=O)OCc1ccccc1)C(=O)NCCO)OCc1ccccc1	mol37395	O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCO)OCc1ccccc1