smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([O-])c(Br)ccc1CBr ZINC000217367996 346291241 /nfs/dbraw/zinc/29/12/41/346291241.db2.gz PNIPLYPKLQGHNZ-UHFFFAOYSA-N -1 3 279.959 3.358 10 50 CGGEHM