[
  {
    "molid": "mol29647",
    "smiles": "O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12",
        "std_free_energy": -4.977103233337402,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1c2cc([O-])ccc2oc2cc(O)cc(O)c12",
        "std_free_energy": -1.2860106229782104,
        "relative_population": 0.08561355969070183
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1c2cc(O)ccc2oc2cc([O-])cc(O)c12",
        "std_free_energy": -3.2106776237487793,
        "relative_population": 0.5866982768898283
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=c1c2cc(O)ccc2oc2cc(O)cc([O-])c12",
        "std_free_energy": -2.6282293796539307,
        "relative_population": 0.32768816341946994
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1c2cc(O)ccc2oc2cc([O-])cc([O-])c12",
        "std_free_energy": -0.3343197703361511,
        "relative_population": 0.4968636271855829
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=c1c2cc([O-])ccc2oc2cc(O)cc([O-])c12",
        "std_free_energy": -0.07967651635408401,
        "relative_population": 0.38516520358888406
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=c1c2cc([O-])ccc2oc2cc([O-])cc(O)c12",
        "std_free_energy": 1.1035555601119995,
        "relative_population": 0.11797116922553298
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.67,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 8.71,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]