smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC1=[NH+]CCN1CC[NH3+] ZINC000100049366 519993504 /nfs/dbraw/zinc/99/35/04/519993504.db2.gz ZDESIKLNPAKKBA-UHFFFAOYSA-N 2 1 351.623 5.921 10 30 FKEEMP