pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1	mol17192	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
9.5	Baltruschat ChEMBL	1	0	COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1	mol17192	COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1