Adding multiple reactants

I would like to enumerate a combinatorial library using reactor and on the reactor screen I would like to add 25 amines as reactants. How do I do this? I have found an example amine smiles file in the directorywith 3 amines, how do I generate a smiles file with 25 structures from Marvin sketch?

Draw the structures in MarvinSketch, and when you save them you will be offered to append the structures to the opened file.

 

Other options:

- Use Markush Enumeration plugin to enumerate amines, and save the results to a SMILES file.

- Filter amines from az existing molfile. Example (command line):

 evaluate -e "match(amine)" -x smiles nci100.smiles -o amines.smiles

Zsolt

thanks the appending files and saving to an sd file works well and is easy to do

Dave