smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC000715766269 977782854 /nfs/dbraw/zinc/78/28/54/977782854.db2.gz PPGYYKCWJQOXCH-UHFFFAOYSA-N -2 1 340.148 3.604 10 10 EHCEML