[
  {
    "molid": "mol21726",
    "smiles": "Cc1c(CCN)ccc(O)c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(CC[NH3+])ccc([O-])c1O",
        "std_free_energy": -4.019133567810059,
        "relative_population": 0.4959843920178734
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1c(CCN)ccc(O)c1O",
        "std_free_energy": -2.8292815685272217,
        "relative_population": 0.15091133202968618
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1c(CC[NH3+])ccc(O)c1[O-]",
        "std_free_energy": -3.6793525218963623,
        "relative_population": 0.35310427595244037
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(CC[NH3+])ccc(O)c1O",
        "std_free_energy": -9.948537826538086,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]