pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	OCHEM	1	0	CO[C@H]1C=CC(CN2C(=O)[C@H]3[C@@H]([C@H]2CC(F)F)[C@@H]2CCC[NH+]2[C@H]3c2ccc(C#N)cc2)=CC1	CO[C@H]1C=CC(CN2C(=O)[C@H]3[C@@H]([C@H]2CC(F)F)[C@@H]2CCCN2[C@H]3c2ccc(C#N)cc2)=CC1	mol332	COC1C=CC(CN2C(=O)[C@H]3C([C@H]2CC(F)F)[C@@H]2CCCN2[C@H]3c2ccc(C#N)cc2)=CC1