smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cccc(-c2nc(-c3ccc(O)c(O)c3)cs2)c1 ZINC000004245317 169948789 /nfs/dbraw/zinc/94/87/89/169948789.db2.gz ZLSIFVRIGGOWNF-UHFFFAOYSA-N 0 0 284.340 3.471 30 10 CGCCRN