[
  {
    "molid": "mol26360",
    "smiles": "Oc1cccc2[nH]cnc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1cccc2[nH]cnc12",
        "std_free_energy": -6.008363723754883,
        "relative_population": 0.9734921628789484
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1cccc2[nH]c[nH+]c12",
        "std_free_energy": -4.0647454261779785,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2[nH]cnc12",
        "std_free_energy": 0.9561457633972168,
        "relative_population": 0.9921981244011485
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.3,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]