[
  {
    "molid": "mol19749",
    "smiles": "O=C1Cn2c(cc3cc(O)ccc32)C(=O)N1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1Cn2c(cc3cc(O)ccc32)C(=O)N1O",
        "std_free_energy": -5.489173412322998,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1Cn2c(cc3cc(O)ccc32)C(=O)N1[O-]",
        "std_free_energy": -5.182612419128418,
        "relative_population": 0.926762216165887
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1Cn2c(cc3cc([O-])ccc32)C(=O)N1O",
        "std_free_energy": -2.6446268558502197,
        "relative_population": 0.0732377838341129
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]