[
  {
    "molid": "mol7815",
    "smiles": "Oc1occ2c1CCCN2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1occ2c1CCCN2",
        "std_free_energy": -5.3731536865234375,
        "relative_population": 0.6525872234382178
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1occ2c1CCC[NH2+]2",
        "std_free_energy": -4.742722511291504,
        "relative_population": 0.3474127765617821
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1occ2c1CCCN2",
        "std_free_energy": -3.0527706146240234,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]