[
  {
    "molid": "mol9859",
    "smiles": "O=C(O)c1cc(Cl)ccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1cc(Cl)cc[nH+]1",
        "std_free_energy": -5.099696159362793,
        "relative_population": 0.7397487233285446
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1cc(Cl)ccn1",
        "std_free_energy": -4.055033206939697,
        "relative_population": 0.2602512766714555
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(Cl)ccn1",
        "std_free_energy": -11.252765655517578,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]