[
  {
    "molid": "mol24796",
    "smiles": "CCOC(=O)c1ccccc1NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1ccccc1NN",
        "std_free_energy": -5.642725944519043,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)c1ccccc1N[NH3+]",
        "std_free_energy": 0.1417141556739807,
        "relative_population": 0.4886695157151225
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)c1ccccc1[NH2+]N",
        "std_free_energy": 0.0963844582438469,
        "relative_population": 0.5113304842848775
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.65999984741211,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]