pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	IUPAC digitized pKa	0	-1	CCN(CC)CC(=NO)C(C)=NO,CC[NH+](CC)CC(=NO)C(C)=N[O-],CC[NH+](CC)CC(=N[O-])C(C)=NO	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
8.5	Datawarrior	0	-1	CCN(CC)CC(=NO)C(C)=NO,CC[NH+](CC)CC(=NO)C(C)=N[O-],CC[NH+](CC)CC(=N[O-])C(C)=NO	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
10.75	IUPAC digitized pKa	-1	-2	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	CCN(CC)CC(=N[O-])C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
10.7	Datawarrior	-1	-2	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	CCN(CC)CC(=N[O-])C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
11.9	Datawarrior	-1	-2	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	CCN(CC)CC(=N[O-])C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
10.6999998092651	QSARToolbox	-1	-2	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	CCN(CC)CC(=N[O-])C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO
11.8999996185303	QSARToolbox	-1	-2	CCN(CC)CC(=N[O-])C(C)=NO,CCN(CC)CC(=NO)C(C)=N[O-]	CCN(CC)CC(=N[O-])C(C)=N[O-]	mol10717	CCN(CC)CC(=NO)C(C)=NO