smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)C[N+](C)(C)C)cc1C ZINC000017195480 717112197 /nfs/dbraw/zinc/11/21/97/717112197.db2.gz MTUJGAHUSAUSDG-NCELDCMTSA-O 1 0 417.574 3.206 40 50 HGGBRO