smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C(F)(F)C(F)(F)C(F)(F)F ZINC000019800787 558285565 /nfs/dbraw/zinc/28/55/65/558285565.db2.gz FAODJOVFCLFVEG-UAKXSSHOSA-N -1 1 412.214 -0.563 40 30 HBEBMM