[
  {
    "molid": "SAMPL8-6",
    "smiles": "Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)s1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(Cl)cc1[NH2+]Cc1ccc(C(=O)[O-])s1",
        "std_free_energy": -3.161492109298706,
        "relative_population": 0.3742636858212063
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)s1",
        "std_free_energy": -3.6754605770111084,
        "relative_population": 0.6257363141787937
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(Cl)cc1NCc1ccc(C(=O)[O-])s1",
        "std_free_energy": -10.472272872924805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "SAMPL8"
      }
    ]
  }
]