smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)C[N@@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H](O)C1 ZINC000217156219 373069140 /nfs/dbraw/zinc/06/91/40/373069140.db2.gz GMKMHPYWSLGFIL-NSHDSACASA-N 2 2 308.386 -1.014 50 70 DAIALP CCNC(=O)C[N@H+]1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H](O)C1 ZINC000217156219 373069149 /nfs/dbraw/zinc/06/91/49/373069149.db2.gz GMKMHPYWSLGFIL-NSHDSACASA-N 2 2 308.386 -1.014 50 70 DAIALP