-dbsearch True -dbcatoms 1 # index of connecting atom in SMARTS query, see below -dbbase chembl_21 # name of your database file without the file extension -dbfname simres.smi # results file name, default is simres.smi -dbatoms <15 # atom filter -dbsmarts [#7D1,#7D2;!+] -dballowedels H,C,N,F,Cl,Br,I # allowed element filter -dbmaxsmartsmatches 1 # max. SMARTS matches filter