Duplicate Remover

Calculates an Extended Connectivity Fingerprint for each input molecule and only keeps the first representative for each set of molecules with the same fingerprint.

Input ports

1. Type: Table
   Input molecule table
   Table containing molecules with duplicates to remove

Output ports

1. Type: Table
   Output molecule table
   Molecule table without duplicates
2. Type: Table
   Duplicates
   Table containing all duplicates along with an additional column specifying which row from the input table was included for a specific set of duplicates.