[
  {
    "molid": "mol9335",
    "smiles": "O=CC[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CC[C@H](O)[C@H](O)CO",
        "std_free_energy": -7.0964484214782715,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C[CH-][C@H](O)[C@H](O)CO",
        "std_free_energy": 1.1766130924224854,
        "relative_population": 0.997558947837531
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.61,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]