[
  {
    "molid": "mol2740",
    "smiles": "COc1cc(C)cc(Cl)c1C1C(=O)CC(CC2CCOCC2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C)cc(Cl)c1[C@H]1C(=O)C[C@H](CC2CCOCC2)C1=O",
        "std_free_energy": -5.208517074584961,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(C)cc(Cl)c1[C@H]1C(=O)[CH-][C@H](CC2CCOCC2)C1=O",
        "std_free_energy": 0.14580856263637543,
        "relative_population": 0.087388891529332
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(C)cc(Cl)c1[C-]1C(=O)C[C@H](CC2CCOCC2)C1=O",
        "std_free_energy": -2.1565701961517334,
        "relative_population": 0.8737086207190146
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]