smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC/C=C/CCCCCCCC1=[NH+]CCN1CC[NH3+] ZINC000100049457 257914331 /nfs/dbraw/zinc/91/43/31/257914331.db2.gz DLIZJCBWTRNYKF-MDZDMXLPSA-N 2 1 349.607 5.697 10 30 EKEEMP