pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	0	-1	CC[C@]1(CCN2CCOCC2)C(=O)N=C(O)N=C1O,CC[C@]1(CC[NH+]2CCOCC2)C(=O)N=C([O-])N=C1O,CC[C@]1(CC[NH+]2CCOCC2)C(=O)N=C(O)N=C1[O-]	CC[C@]1(CCN2CCOCC2)C(=O)N=C([O-])N=C1O,CC[C@]1(CCN2CCOCC2)C(=O)N=C(O)N=C1[O-]	mol7437	CCC1(CCN2CCOCC2)C(=O)N=C(O)N=C1O
5.04	IUPAC digitized pKa	1	0	CC[C@]1(CC[NH+]2CCOCC2)C(=O)N=C(O)N=C1O	CC[C@]1(CCN2CCOCC2)C(=O)N=C(O)N=C1O,CC[C@]1(CC[NH+]2CCOCC2)C(=O)N=C([O-])N=C1O,CC[C@]1(CC[NH+]2CCOCC2)C(=O)N=C(O)N=C1[O-]	mol7437	CCC1(CCN2CCOCC2)C(=O)N=C(O)N=C1O