pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	1	0	C[C@@H]1CN(Cc2ccccc2)c2c[nH+]cc(F)c2[C@H](C)N1C(=O)NCc1ccccc1,C[C@@H]1C[NH+](Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)NCc1ccccc1	C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)NCc1ccccc1	mol18539	C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)NCc1ccccc1