smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C=O)OCO3)cc1 ZINC000004244708 401726121 /nfs/dbraw/zinc/72/61/21/401726121.db2.gz FIPZJZLYNHRRSG-UHFFFAOYSA-N 0 1 319.338 2.337 30 0 DEACMN