pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.33	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1ncn(CCCN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)n1,O=[N+]([O-])c1ncn(CCC[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1	O=[N+]([O-])c1ncn(CCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1	mol18907	O=[N+]([O-])c1ncn(CCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1