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1. The First Library of Reactants


Upload Your Own LibraryFirst Reactant Library: Upload Your Own

Choose a file to upload:
(Max size of 1 MB. Download AutoClickChem to process more files on your own machine.)

File contains 3D molecule(s) in one of these formats (PDB preferred):
  • Protein Data Bank Format (*.pdb, *.ent)
  • Sybyl Mol2 Format (*.ml2, *.mol2, *.sy2)
  • MDL MOL Format (*.mdl, *.mol, *.sd, *.sdf)
  • XYZ Cartesian Coordinates Format (*.xyz)
  • ZIP file containing multiple models in any of the above formats

Select No Library First Reactant Library: None

Preloaded Sample Libraries to Test the Program
First Reactant Library: Acid_Anhydride

First Reactant Library: Acyl_Halide

First Reactant Library: Alcohol

First Reactant Library: Alkene

First Reactant Library: Alkyne

First Reactant Library: All_Samples

First Reactant Library: Azide

First Reactant Library: Carbonochloridate

First Reactant Library: Carboxylate

First Reactant Library: Epoxide

First Reactant Library: Ester

First Reactant Library: Halides

First Reactant Library: Isocyanates

First Reactant Library: Primary_Amine

First Reactant Library: Secondary_Amine

First Reactant Library: Sulfonyl_Azide

First Reactant Library: Thio_Acid

First Reactant Library: Thiol





Frequent Questions