[
  {
    "molid": "mol787",
    "smiles": "Oc1ccccc1/N=N/c1ccccc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccccc1/N=N/c1ccccc1O",
        "std_free_energy": -6.245356559753418,
        "relative_population": 0.9984269951495544
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1/N=N/c1ccccc1O",
        "std_free_energy": -3.8436145782470703,
        "relative_population": 0.9999790375941745
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]c1ccccc1/N=N/c1ccccc1[O-]",
        "std_free_energy": 8.670308113098145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]