[
  {
    "molid": "mol26659",
    "smiles": "Cc1cc(C)c2c(O)c3ccccc3nc2n1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C)c2c(O)c3ccccc3[nH+]c2n1",
        "std_free_energy": 0.5054794549942017,
        "relative_population": 0.48417816152592374
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(C)c2c(O)c3ccccc3nc2[nH+]1",
        "std_free_energy": 0.4424918591976166,
        "relative_population": 0.5156563406489667
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(C)c2c(O)c3ccccc3[nH+]c2[nH+]1",
        "std_free_energy": 11.783509254455566,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -5.04,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]