pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(C[NH+]5C[C@@H](O)C(C)(C)C5)cc4)CC3)o2)cc1	COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5C[C@@H](O)C(C)(C)C5)cc4)CC3)o2)cc1	mol17723	COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CC(O)C(C)(C)C5)cc4)CC3)o2)cc1