[
  {
    "molid": "mol27569",
    "smiles": "O=C(O)CN1C(=O)NC(=O)C1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CN1C(=O)NC(=O)[C@H]1Cc1ccccc1",
        "std_free_energy": -3.119098663330078,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN1C(=O)NC(=O)[C@H]1Cc1ccccc1",
        "std_free_energy": -10.97746753692627,
        "relative_population": 0.9986576918624125
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1C(=O)[N-]C(=O)[C@H]1Cc1ccccc1",
        "std_free_energy": -2.350339412689209,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.80999994277954,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 2.81,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.96,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]