pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.57	OCHEM	0	-1	C[NH+](C)CCCCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCCCNC(=O)C=NO	CN(C)CCCCCCCCCC[N-]C(=O)C=NO,CN(C)CCCCCCCCCCNC(=O)C=N[O-]	mol32527	CN(C)CCCCCCCCCCNC(=O)C=NO
9.0200005	OCHEM	1	0	C[NH+](C)CCCCCCCCCCNC(=O)C=NO	C[NH+](C)CCCCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCCCNC(=O)C=NO	mol32527	CN(C)CCCCCCCCCCNC(=O)C=NO
9.02000045776367	QSARToolbox	1	0	C[NH+](C)CCCCCCCCCCNC(=O)C=NO	C[NH+](C)CCCCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCCCNC(=O)C=NO	mol32527	CN(C)CCCCCCCCCCNC(=O)C=NO