[
  {
    "molid": "mol32031",
    "smiles": "Cc1n[nH]c(O)c1Cc1ccc2ccccc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(O)c1Cc1ccc2ccccc2c1",
        "std_free_energy": -7.040875434875488,
        "relative_population": 0.9999988551992148
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1n[nH]c([O-])c1Cc1ccc2ccccc2c1",
        "std_free_energy": 3.901275634765625,
        "relative_population": 0.5587466208382593
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1n[n-]c(O)c1Cc1ccc2ccccc2c1",
        "std_free_energy": 4.137352466583252,
        "relative_population": 0.4412533791617406
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.33,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]