[
  {
    "molid": "SM15",
    "smiles": "Oc1ccc(-n2cnc3ccccc32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(-n2cnc3ccccc32)cc1",
        "std_free_energy": -6.403806209564209,
        "relative_population": 0.999461520222464
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc(-n2c[nH+]c3ccccc32)cc1",
        "std_free_energy": -3.468998432159424,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(-n2cnc3ccccc32)cc1",
        "std_free_energy": 0.9678120613098145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL6"
      },
      {
        "pka_value": 4.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "SAMPL6"
      }
    ]
  }
]