[
  {
    "molid": "mol8615",
    "smiles": "OC[C@H]1OC(Nc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1O[C@H](Nc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": -7.029884338378906,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@H]([NH2+]c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O",
        "std_free_energy": 1.236831784248352,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.36,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]