smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 ZINC000004539185 717098302 /nfs/dbraw/zinc/09/83/02/717098302.db2.gz JPBYTFVNDZYBHK-CAPFRKAQSA-O 1 0 381.497 3.855 40 50 GHGBRO C[N+](C)(C)CCCCCCCCCCC(=O)N/N=C\c1ccc([N+](=O)[O-])o1 ZINC000017286387 717113177 /nfs/dbraw/zinc/11/31/77/717113177.db2.gz JPBYTFVNDZYBHK-SILNSSARSA-O 1 0 381.497 3.855 40 50 GHGBRO