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Job #440 - we26

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	2b
2D and 3D depictions
SMILES	CC(C)C(=O)c1c(O)cc(O)cc1O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10

Ligand Models 2

Name	2a
2D and 3D depictions
SMILES	CC(=O)c1c(O)cc(O)cc1O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10

Ligand Models 3

Name	2c
2D and 3D depictions
SMILES	CC(C)CC(=O)c1c(O)cc(O)cc1O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10