[
  {
    "molid": "mol15482",
    "smiles": "CC1=CC(=Nc2ccc(O)cc2)C(C(C)C)=CC1=O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC1=CC(=Nc2ccc(O)cc2)C(C(C)C)=CC1=O",
        "std_free_energy": -6.226822853088379,
        "relative_population": 0.9988215489131514
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=CC(=Nc2ccc([O-])cc2)C(C(C)C)=CC1=O",
        "std_free_energy": -0.7614700198173523,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.8500004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]