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-])c1ccc(C#CC2(O)CCCCC2)o1 ZINC000004299333 188051676 /nfs/dbraw/zinc/05/16/76/188051676.db2.gz GDCAEFZYGLXTPF-UHFFFAOYSA-N -1 0 234.251 2.025 30 30 BEECRM