[
  {
    "molid": "mol13608",
    "smiles": "O=C(O)c1ccnnc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1cc[nH+]nc1",
        "std_free_energy": -1.3373405933380127,
        "relative_population": 0.05071837593855742
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)c1ccnnc1",
        "std_free_energy": -4.2516913414001465,
        "relative_population": 0.9350864992154845
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccnnc1",
        "std_free_energy": -13.040962219238281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]