smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CC(N4C(=O)CSC4=O)C3)cc2)c1 ZINC000217744508 569452539 /nfs/dbraw/zinc/45/25/39/569452539.db2.gz LHKAIAAIXYVBDJ-UHFFFAOYSA-N -1 1 445.522 2.316 50 70 IEIAMM