[
  {
    "molid": "mol17567",
    "smiles": "CC(C(=O)O)c1cccc2nc(-c3ccccc3)oc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)O)c1cccc2nc(-c3ccccc3)oc12",
        "std_free_energy": -5.070620059967041,
        "relative_population": 0.9976739566594682
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])c1cccc2nc(-c3ccccc3)oc12",
        "std_free_energy": -10.021079063415527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]