pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.34	Baltruschat ChEMBL	1	0	CCOc1cc(C[NH+]2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1	CCOc1cc(CN2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1	mol19463	CCOc1cc(CN2CCCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1