pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)[NH+]=C1N	CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N	mol20673	CN1C(=O)C[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C1N