[
  {
    "molid": "mol6732",
    "smiles": "COC(=O)Cc1c(C)noc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)Cc1c(C)noc1C",
        "std_free_energy": -6.513645172119141,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COC(=O)Cc1c(C)[nH+]oc1C",
        "std_free_energy": 6.487955570220947,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -1.82,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]