[
  {
    "molid": "mol14652",
    "smiles": "N#Cc1c(-c2nc3cc(Cl)ccc3o2)c(=O)oc2cc(O)ccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1c(-c2nc3cc(Cl)ccc3o2)c(=O)oc2cc(O)ccc12",
        "std_free_energy": -3.9343948364257812,
        "relative_population": 0.9999997436081122
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1c(-c2nc3cc(Cl)ccc3o2)c(=O)oc2cc([O-])ccc12",
        "std_free_energy": -5.574281692504883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]