smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C/C(=O)/C=C/c2cccc(OS(=O)(=O)C(F)(F)F)c2)cc(OC)c1OC ZINC000049763012 563203387 /nfs/dbraw/zinc/20/33/87/563203387.db2.gz DZKBGNWZCUBMFN-FIFLTTCUSA-N 0 0 472.437 4.237 1 70 JIIFRN