pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	Baltruschat ChEMBL	1	0	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1C[NH+](C)[C@H](C)C(N)=O	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O	mol17403	COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O