[
  {
    "molid": "mol12078",
    "smiles": "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)[C@H]1O",
        "std_free_energy": -5.587856769561768,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)[C@H]1[O-]",
        "std_free_energy": -0.9606714248657227,
        "relative_population": 0.11862281899857276
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)[C@H]1O",
        "std_free_energy": -2.4416277408599854,
        "relative_population": 0.5216021784469904
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)[C-]1O",
        "std_free_energy": -2.0702013969421387,
        "relative_population": 0.3597750025544367
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]