smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(C=NN2CN=NC2=S)c([O-])c1Br ZINC000103763770 526322324 /nfs/dbraw/zinc/32/23/24/526322324.db2.gz LQYMLHDJUGHEAH-SILLCRNTSA-N -2 1 394.048 2.385 10 30 GEEEML