[
  {
    "molid": "mol1937",
    "smiles": "O=C(O)COc1nc(Cl)c(Cl)cc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)COc1nc(Cl)c(Cl)cc1Cl",
        "std_free_energy": -3.2426180839538574,
        "relative_population": 0.9998773467057684
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)COc1[nH+]c(Cl)c(Cl)cc1Cl",
        "std_free_energy": 13.00111198425293,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])COc1nc(Cl)c(Cl)cc1Cl",
        "std_free_energy": -12.008392333984375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      },
      {
        "pka_value": 2.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
      {
        "pka_value": 2.6800000667572,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]