[
  {
    "molid": "mol35879",
    "smiles": "CCOC(=O)c1cc2c(O)c(O)c3ncccc3c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1cc2c(O)c(O)c3ncccc3c2[nH]1",
        "std_free_energy": -5.88601541519165,
        "relative_population": 0.9767507516512823
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=[OH+])c1cc2c(O)c(O)c3ncccc3c2[nH]1",
        "std_free_energy": 2.1656832695007324,
        "relative_population": 0.13338051686545446
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCOC(=O)c1cc2c(O)c(O)c3[nH+]cccc3c2[nH]1",
        "std_free_energy": 0.29428935050964355,
        "relative_population": 0.8666194831345455
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.53999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]