smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 ZINC000029466537 717119363 /nfs/dbraw/zinc/11/93/63/717119363.db2.gz ZYRFBTNYRPBZFP-UHFFFAOYSA-N 2 0 422.702 2.804 1 5 HFBFRP