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/c1ccc([NH+]2CCCCCCC2)cc1 ZINC000020527174 171240276 /nfs/dbraw/zinc/24/02/76/171240276.db2.gz YQUYJPBOABJBEB-DHZHZOJOSA-N 0 2 259.349 3.555 10 10 CHCELN