smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(N3CCOCC3)n(CC/[NH+]=C/N3CCOCC3)c2c(=O)n(C)c1=O ZINC000008659792 527123127 /nfs/dbraw/zinc/12/31/27/527123127.db2.gz SUYUZMFOSUWODI-CPNJWEJPSA-N 1 0 405.459 -1.369 50 30 HAEARO Cn1c2nc(N3CCOCC3)n(CC/[NH+]=C\N3CCOCC3)c2c(=O)n(C)c1=O ZINC000083295562 568912801 /nfs/dbraw/zinc/91/28/01/568912801.db2.gz SUYUZMFOSUWODI-UYRXBGFRSA-N 1 0 405.459 -1.369 50 30 HAEARO