smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc1[N+](=O)[O-] ZINC000742026160 1076722693 /nfs/dbraw/zinc/72/26/93/1076722693.db2.gz MHFSWTGDUDTEQN-UHFFFAOYSA-N -1 2 412.351 2.313 20 5 HEBDLM