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Job #352 - mming

Created at: Last updated at: Current status:

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Overall Progress

100.000%

Ligand Models

Name	test
2D and 3D depictions
SMILES	CC2(C)C(=O)N(c1ccc(C#N)c(C(F)(F)F)c1F)C(=S)N2c4ccc(CCCc3ncco3)nc4
Model downloads SMILES Protein Data Bank AutoDock PDBQT Sybyl Mol2 MDL MOL
Fingerprints MACCS FP2 FP3 FP4 ECFP0 ECFP2 ECFP4 ECFP6 ECFP8 ECFP10