smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)[N-]OC ZINC000043706311 175099704 /nfs/dbraw/zinc/09/97/04/175099704.db2.gz HLQXLEOFBLMNDL-UHFFFAOYSA-N -1 3 285.472 5.145 10 30 CKEEHM