[
  {
    "molid": "mol6515",
    "smiles": "COCc1ccc(OC)nc1COC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCc1ccc(OC)nc1COC",
        "std_free_energy": -7.294228553771973,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COCc1ccc(OC)[nH+]c1COC",
        "std_free_energy": 1.640089750289917,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.55,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.54999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]