[
  {
    "molid": "mol2476",
    "smiles": "Oc1cccc2nnccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1cccc2nnccc12",
        "std_free_energy": -6.151207447052002,
        "relative_population": 0.9999935055208831
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1cccc2[nH+]nccc12",
        "std_free_energy": 4.529417991638184,
        "relative_population": 0.4184857054657402
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1cccc2n[nH+]ccc12",
        "std_free_energy": 4.201147079467773,
        "relative_population": 0.5810946456776384
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1cccc2nnccc12",
        "std_free_energy": -3.6763343811035156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.4000001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.92,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.91999995708466,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]