[
  {
    "molid": "mol2714",
    "smiles": "CC#Cc1cc(Cl)c(C2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC#Cc1cc(Cl)c(C2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1",
        "std_free_energy": -4.531430244445801,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC#Cc1cc(Cl)c([C-]2C(=O)CC3(CCOCC3)CC2=O)c(OC)c1",
        "std_free_energy": -4.388256549835205,
        "relative_population": 0.9998734515325787
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]