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)c1O ZINC000216764313 241211100 /nfs/dbraw/zinc/21/11/00/241211100.db2.gz JVIJMSCECCMNMX-NSCUHMNNSA-N 0 0 335.979 3.138 40 50 EGGBRN