[
  {
    "molid": "mol12812",
    "smiles": "Oc1ccc(O)c2ncccc12",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Oc1ccc(O)c2ncccc12",
        "std_free_energy": -6.547673225402832,
        "relative_population": 0.9962444832128884
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(O)c2[nH+]cccc12",
        "std_free_energy": -1.7760719060897827,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(O)c2cccnc12",
        "std_free_energy": 1.1218159198760986,
        "relative_population": 0.2427475454291218
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[O-]c1ccc(O)c2ncccc12",
        "std_free_energy": -0.011366710066795349,
        "relative_population": 0.753858455470823
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.3000002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]