[
  {
    "molid": "mol14002",
    "smiles": "Oc1ccc2cnncc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc2cnncc2c1",
        "std_free_energy": -5.536881446838379,
        "relative_population": 0.9979649023932875
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1ccc2c[nH+]ncc2c1",
        "std_free_energy": 1.442090630531311,
        "relative_population": 0.4805045734668937
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Oc1ccc2cn[nH+]cc2c1",
        "std_free_energy": 1.3642796277999878,
        "relative_population": 0.5193862101177481
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc2cnncc2c1",
        "std_free_energy": -2.0115468502044678,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.95,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.9499998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.94,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.9400001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.94000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]