[
  {
    "molid": "mol15023",
    "smiles": "CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O",
        "std_free_energy": -5.521188259124756,
        "relative_population": 0.9714953421466404
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCc1c([O-])n2c3cc(C)ccc3nc(N(C)C)n2c1=O",
        "std_free_energy": -5.266510009765625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.5500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]