[
  {
    "molid": "mol37287",
    "smiles": "C[C@H](O)C1=C[C@@]2(CC[C@@H]3C(C(=O)O)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]32)OC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](O)C1=C[C@@]2(CC[C@@H]3C(C(=O)O)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]32)OC1=O",
        "std_free_energy": -3.7450435161590576,
        "relative_population": 1.0
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "C[C@H](O)C1=C[C@@]2(CC[C@@H]3C(C(=O)[O-])=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]32)OC1=O",
        "std_free_energy": -9.206348419189453,
        "relative_population": 0.9999997883430544
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]