smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ClC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825005 717116186 /nfs/dbraw/zinc/11/61/86/717116186.db2.gz XEENOTDJJRFCCJ-UHFFFAOYSA-N 2 0 355.010 4.415 1 50 FIGFRP