pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.19	Baltruschat ChEMBL	1	0	CCOc1cc(C[NH+]2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F	CCOc1cc(CN2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F	mol19464	CCOc1cc(CN2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F