[
  {
    "molid": "mol16657",
    "smiles": "O=c1[nH]c(Cl)c(C2=CCCC2)c(=O)[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1[nH]c(Cl)c(C2=CCCC2)c(=O)[nH]1",
        "std_free_energy": -5.4742512702941895,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[n-]c(Cl)c(C2=CCCC2)c(=O)[nH]1",
        "std_free_energy": -4.8168792724609375,
        "relative_population": 0.8998257827386367
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1[n-]c(=O)c(C2=CCCC2)c(Cl)[nH]1",
        "std_free_energy": -2.621588945388794,
        "relative_population": 0.10017421726136343
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]