pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8299999	OCHEM	0	-1	CN(C)CCCN(C)C(=O)C=NO,CN(CCC[NH+](C)C)C(=O)C=N[O-]	CN(C)CCCN(C)C(=O)C=N[O-]	mol32564	CN(C)CCCN(C)C(=O)C=NO
8.6800003	OCHEM	1	0	CN(CCC[NH+](C)C)C(=O)C=NO	CN(C)CCCN(C)C(=O)C=NO,CN(CCC[NH+](C)C)C(=O)C=N[O-]	mol32564	CN(C)CCCN(C)C(=O)C=NO
8.68000030517578	QSARToolbox	1	0	CN(CCC[NH+](C)C)C(=O)C=NO	CN(C)CCCN(C)C(=O)C=NO,CN(CCC[NH+](C)C)C(=O)C=N[O-]	mol32564	CN(C)CCCN(C)C(=O)C=NO