pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.79	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1ncn(CCC[NH+](Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1	O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1	mol18906	O=[N+]([O-])c1ncn(CCCN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)n1