[
  {
    "molid": "mol11208",
    "smiles": "CCOc1ccc(C(=O)O)c(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOc1ccc(C(=O)O)c(C(=O)O)c1",
        "std_free_energy": -1.164582371711731,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOc1ccc(C(=O)O)c(C(=O)[O-])c1",
        "std_free_energy": -9.143759727478027,
        "relative_population": 0.6897437504722643
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOc1ccc(C(=O)[O-])c(C(=O)O)c1",
        "std_free_energy": -8.34483814239502,
        "relative_population": 0.3102562495277357
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCOc1ccc(C(=O)[O-])c(C(=O)[O-])c1",
        "std_free_energy": -12.243772506713867,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.74000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.12,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.11999988555908,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]