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Table 1 Examples of the program input files

From: WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets

Format

Example

CSV (Excel)

ID Number, SMILES, Docking, Source, Synthesis Method

PLZKL-OMM-712, c1ccccc1, -5.2, "Pilzukil, Pharmaceuticals", Click Chemistry

PLZKL-OMM-677, CCOC, -9.3, Owen Moore Monet Pharma, Natural Product

Tab delimited

ID Number

SMILES

Docking

Source

Synthesis Method

PLZKL-OMM-712

c1ccccc1

-5.2

Pilzukil Pharmaceuticals

Click Chemistry

PLZKL-OMM-677

CCOC

-9.3

Owen Moore Monet Pharm

Natural Product

  1. Both comma-separated values (CSV) and tab-delimited data are accepted. The first row must contain data labels. Subsequent rows contain the data associated with each molecule.