smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)ccc1OCC(=O)[O-] ZINC000059533793 609738285 /nfs/dbraw/zinc/73/82/85/609738285.db2.gz SGIUQNCHGYXWQF-UXBLZVDNSA-N -2 0 348.311 0.640 10 10 ECCERL CCOC(=O)c1cc(=O)n(-c2ccc(C)cc2S(=O)(=O)[O-])[n-]1 ZINC000033607494 212955827 /nfs/dbraw/zinc/95/58/27/212955827.db2.gz FYBOEGLGOBUULR-UHFFFAOYSA-N -2 0 326.330 0.898 10 10 ECCERL