[
  {
    "molid": "mol20550",
    "smiles": "CCCCCCOc1cc(C(=O)O)ccc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCCOc1cc(C(=O)O)ccc1N",
        "std_free_energy": -4.61013650894165,
        "relative_population": 0.8711693472635278
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCOc1cc(C(=O)[O-])ccc1[NH3+]",
        "std_free_energy": -2.698798894882202,
        "relative_population": 0.12883065273647218
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCCCOc1cc(C(=O)[O-])ccc1N",
        "std_free_energy": -9.081180572509766,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]