pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.15	OCHEM	0	-1	CC(C)CCCN(C)CCCNC(=O)C=NO,CC(C)CCC[NH+](C)CCCNC(=O)C=N[O-]	CC(C)CCCN(C)CCC[N-]C(=O)C=NO,CC(C)CCCN(C)CCCNC(=O)C=N[O-]	mol32318	CC(C)CCCN(C)CCCNC(=O)C=NO
8.7200003	OCHEM	1	0	CC(C)CCC[NH+](C)CCCNC(=O)C=NO	CC(C)CCCN(C)CCCNC(=O)C=NO,CC(C)CCC[NH+](C)CCCNC(=O)C=N[O-]	mol32318	CC(C)CCCN(C)CCCNC(=O)C=NO
8.72000026702881	QSARToolbox	1	0	CC(C)CCC[NH+](C)CCCNC(=O)C=NO	CC(C)CCCN(C)CCCNC(=O)C=NO,CC(C)CCC[NH+](C)CCCNC(=O)C=N[O-]	mol32318	CC(C)CCCN(C)CCCNC(=O)C=NO