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Job #256 - 0

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models 1

Name	3
2D and 3D depictions
SMILES	CCOC(=O)/C=C/c1ccc(O)c(OC)c1
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	5
2D and 3D depictions
SMILES	O=c3cc(c1ccc(O)c(O)c1)oc4cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c34
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	4
2D and 3D depictions
SMILES	COc1cc(/C=C/C(=O)O)ccc1O
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 4

Name	2
2D and 3D depictions
SMILES	CC1COc3c1c(=O)c(=O)c4c2CCCC(C)(C)c2ccc34
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 5

Name	1
2D and 3D depictions
SMILES	O=C(/C=C/c1ccc(O)c(O)c1)OC2CC(O)(C(=O)O)CC(O)C2O
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10