smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Br)c(Br)c(/C=C/C=O)c1[O-] ZINC000216764313 241211107 /nfs/dbraw/zinc/21/11/07/241211107.db2.gz JVIJMSCECCMNMX-NSCUHMNNSA-N -1 3 335.979 3.138 40 50 EGGBHM