smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(NC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)c(P(=O)([O-])[O-])c1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049807326 562686396 /nfs/dbraw/zinc/68/63/96/562686396.db2.gz JQWVPRKRCCMINA-UHFFFAOYSA-N -2 0 650.609 3.760 1 70 KHIFRL