[
  {
    "molid": "mol15061",
    "smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c([O-])cc1c4c23",
        "std_free_energy": -2.4138951301574707,
        "relative_population": 0.4605934618966442
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1oc2c(O)c(O)cc3c(=O)oc4c([O-])c(O)cc1c4c23",
        "std_free_energy": -2.5718488693237305,
        "relative_population": 0.5394065381033557
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=c1oc2c(O)c([O-])cc3c(=O)oc4c(O)c([O-])cc1c4c23",
        "std_free_energy": 0.9753454923629761,
        "relative_population": 0.5858253855844109
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=c1oc2c([O-])c(O)cc3c(=O)oc4c([O-])c(O)cc1c4c23",
        "std_free_energy": 2.3011648654937744,
        "relative_population": 0.1555865852877187
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=c1oc2c(O)c([O-])cc3c(=O)oc4c([O-])c(O)cc1c4c23",
        "std_free_energy": 1.9841619729995728,
        "relative_population": 0.21362139965490376
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.59,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.5900002,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]