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(CCCCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 ZINC000029466542 717119288 /nfs/dbraw/zinc/11/92/88/717119288.db2.gz UKQCPEZKNHSHNH-UHFFFAOYSA-N 2 0 420.642 2.233 1 5 HEBFRP