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)[NH3+] ZINC000059314569 385045998 /nfs/dbraw/zinc/04/59/98/385045998.db2.gz DWFSJJFSCFUTQV-UHFFFAOYSA-N 2 0 229.432 3.857 50 30 BHEARP