/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_1_1a28-1.sdf descriptors:
molecular weight: 322.127996084
n_hba: 2
n_hbd: 1
logp: 2.886800000000001

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_1_1a28-2.sdf descriptors:
molecular weight: 322.127996084
n_hba: 2
n_hbd: 1
logp: 2.886800000000001

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_1_1a28-3.sdf descriptors:
molecular weight: 322.127996084
n_hba: 2
n_hbd: 1
logp: 2.886800000000001

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_1_1a28-4.sdf descriptors:
molecular weight: 322.127996084
n_hba: 2
n_hbd: 1
logp: 2.886800000000001

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_1_1a28-5.sdf descriptors:
molecular weight: 322.127996084
n_hba: 2
n_hbd: 1
logp: 2.886800000000001

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_2_1a28-1.sdf descriptors:
molecular weight: 334.060213076
n_hba: 3
n_hbd: 1
logp: 3.0691000000000015

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_2_1a28-2.sdf descriptors:
molecular weight: 334.060213076
n_hba: 3
n_hbd: 1
logp: 3.0691000000000015

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_2_1a28-3.sdf descriptors:
molecular weight: 334.060213076
n_hba: 3
n_hbd: 1
logp: 3.0691000000000015

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_2_1a28-4.sdf descriptors:
molecular weight: 334.060213076
n_hba: 3
n_hbd: 1
logp: 3.0691000000000015

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_2_1a28-5.sdf descriptors:
molecular weight: 334.060213076
n_hba: 3
n_hbd: 1
logp: 3.0691000000000015

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/active_1a28-1.sdf descriptors:
molecular weight: 320.271530392
n_hba: 2
n_hbd: 2
logp: 4.387000000000004

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/active_1a28-2.sdf descriptors:
molecular weight: 320.271530392
n_hba: 2
n_hbd: 2
logp: 4.387000000000004

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_3_1a28-1.sdf descriptors:
molecular weight: 325.01696836
n_hba: 4
n_hbd: 2
logp: 2.765100000000002

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_3_1a28-2.sdf descriptors:
molecular weight: 325.01696836
n_hba: 4
n_hbd: 2
logp: 2.765100000000002

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_3_1a28-3.sdf descriptors:
molecular weight: 325.01696836
n_hba: 4
n_hbd: 2
logp: 2.765100000000002

/data/data/PGG_scipionChem/Runs/010762_ProtChemRDKitPrepareLigands/extra/decoys_3_1a28-4.sdf descriptors:
molecular weight: 325.01696836
n_hba: 4
n_hbd: 2
logp: 2.765100000000002

