[
  {
    "molid": "mol9596",
    "smiles": "O=CC[C@@H](O)[C@H](O)[C@H](O)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=CC[C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": -7.127407073974609,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C[CH-][C@@H](O)[C@H](O)[C@H](O)CO",
        "std_free_energy": 1.5866707563400269,
        "relative_population": 0.9939886774640287
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.28,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.51,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]