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-])/C=C/C#CCCCCCCCCCCCCC(=O)[O-] ZINC000014616352 181962105 /nfs/dbraw/zinc/96/21/05/181962105.db2.gz PABFFLLJEGWXPY-JQIJEIRASA-N -2 0 308.418 4.396 1 30 DIEFRL