pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7799997	OCHEM	0	-1	C[NH+](C)CCCNC(=O)C=N[O-],CN(C)CCCNC(=O)C=NO	CN(C)CCCNC(=O)C=N[O-],CN(C)CCC[N-]C(=O)C=NO	mol32428	CN(C)CCCNC(=O)C=NO
9.8100004196167	QSARToolbox	0	-1	C[NH+](C)CCCNC(=O)C=N[O-],CN(C)CCCNC(=O)C=NO	CN(C)CCCNC(=O)C=N[O-],CN(C)CCC[N-]C(=O)C=NO	mol32428	CN(C)CCCNC(=O)C=NO
8.6800003	OCHEM	1	0	C[NH+](C)CCCNC(=O)C=NO	C[NH+](C)CCCNC(=O)C=N[O-],CN(C)CCCNC(=O)C=NO	mol32428	CN(C)CCCNC(=O)C=NO
8.67000007629395	QSARToolbox	1	0	C[NH+](C)CCCNC(=O)C=NO	C[NH+](C)CCCNC(=O)C=N[O-],CN(C)CCCNC(=O)C=NO	mol32428	CN(C)CCCNC(=O)C=NO