smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(/C=[NH+]/NC(=O)C[N+](C)(C)C)cc1 ZINC000001847277 717091064 /nfs/dbraw/zinc/09/10/64/717091064.db2.gz CCHFEWVUEHPWSA-SFQUDFHCSA-O 2 2 291.419 1.689 40 50 CDGBLP CCN(CC)c1ccc(/C=[NH+]\NC(=O)C[N+](C)(C)C)cc1 ZINC000031937782 717120588 /nfs/dbraw/zinc/12/05/88/717120588.db2.gz CCHFEWVUEHPWSA-ATVHPVEESA-O 2 2 291.419 1.689 40 50 CDGBLP