LigandBox (201610_2): Download Molecular Data

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Property file

Containing properties for all the molecules in the tab-delimited format

[DOWNLOAD THE PROPERTY_FILE(gzipped):614.9 MB]

[DOWNLOAD THE PROPERTY_FILE:2299.2 MB]

Single Conformer

Containing one conformer (*-01.mol2) for each compound.

SupplierFile size
Namiki1610.mol2.gz8068.8 MB
Kishida2016.mol2.gz4786.9 MB
PDB_LIGAND.mol2.gz18.0 MB

Multiple Conformer

Containing multiple conformer (*-01.mol2, *-02.mol2, *-03.mol2,..) for each compound.

SupplierFile size
Namiki1610.mol2.gz8483.3 MB
Kishida2016.mol2.gz6390.9 MB
PDB_LIGAND.mol2.gz56.1 MB

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LigandBox database version : '201610_2'
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LastModified: 20170927