[
  {
    "molid": "mol31728",
    "smiles": "Cc1cc(O)c(C)cc1N",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)c(C)cc1N",
        "std_free_energy": -5.449156284332275,
        "relative_population": 0.9999943566859081
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(O)c(C)cc1[NH3+]",
        "std_free_energy": -2.822270393371582,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(C)cc1N",
        "std_free_energy": 3.222269058227539,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.28,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]