[
  {
    "molid": "mol32537",
    "smiles": "C1=CC2=CN3C=Cc4c([nH]c5ccccc45)C3=CC2C=C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1=CC2=CN3C=Cc4c([nH]c5ccccc45)C3=C[C@@H]2C=C1",
        "std_free_energy": -6.2713446617126465,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C1=CC2=CN3C=Cc4c([n-]c5ccccc45)C3=C[C@@H]2C=C1",
        "std_free_energy": 10.488639831542969,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]