smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1 ZINC000067800022 569398272 /nfs/dbraw/zinc/39/82/72/569398272.db2.gz OJPTYHAHMUFDIC-UHFFFAOYSA-N 0 0 402.250 2.100 30 5 HEBCRN