smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([N+](=O)[O-])cc1CSc1nc(C)c(CCC(C)C)c(=O)[n-]1 ZINC000020177110 207182576 /nfs/dbraw/zinc/18/25/76/207182576.db2.gz UYCINDMXUZOKBY-UHFFFAOYSA-N -1 1 391.493 4.266 10 5 GIBEMM