smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+](C)(C)CCCCl ZINC000100684640 717143764 /nfs/dbraw/zinc/14/37/64/717143764.db2.gz NBHVKELFSSALMG-UHFFFAOYSA-N 1 0 290.943 5.613 50 50 CKGARO