[
  {
    "molid": "mol15859",
    "smiles": "O=C/C(O)=C/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C/C(O)=C/O",
        "std_free_energy": -3.6473886966705322,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C/C(O)=C/[O-]",
        "std_free_energy": -7.257270812988281,
        "relative_population": 0.9856740264800521
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C/C([O-])=C/[O-]",
        "std_free_energy": 7.457693576812744,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.03,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.055,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 12.9,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]