pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3500003814697	QSARToolbox	0	-1	CC[N+](C)(CC)CC(=NO)C(C)=N[O-],CC[N+](C)(CC)CC(=N[O-])C(C)=NO	CC[N+](C)(CC)CC(=N[O-])C(C)=N[O-]	mol36062	CC[N+](C)(CC)CC(=NO)C(C)=NO
9.10000038146973	QSARToolbox	0	-1	CC[N+](C)(CC)CC(=NO)C(C)=N[O-],CC[N+](C)(CC)CC(=N[O-])C(C)=NO	CC[N+](C)(CC)CC(=N[O-])C(C)=N[O-]	mol36062	CC[N+](C)(CC)CC(=NO)C(C)=NO