smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(CCN(CCO)CCO)c2cc1C ZINC000043214974 210047228 /nfs/dbraw/zinc/04/72/28/210047228.db2.gz BJTUJKABPAQQHJ-UHFFFAOYSA-N -1 1 373.413 -0.512 50 5 FBBAMM