[
  {
    "molid": "mol3526",
    "smiles": "Nc1cc(O)c2ccccc2c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc(O)c2ccccc2c1O",
        "std_free_energy": -6.898745536804199,
        "relative_population": 0.9999876136056889
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cc(O)c2ccccc2c1O",
        "std_free_energy": 0.01909404993057251,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(O)c2ccccc2c1[O-]",
        "std_free_energy": 1.2705647945404053,
        "relative_population": 0.36806364132460156
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1cc([O-])c2ccccc2c1O",
        "std_free_energy": 0.7304471135139465,
        "relative_population": 0.6316740659124267
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Nc1cc([O-])c2ccccc2c1[O-]",
        "std_free_energy": 10.620735168457031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.56999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.27,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.2700004577637,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]