smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCc2nc(CN(c3ccc(Cl)cc3)S(C)(=O)=O)[n-]c(=O)c2C1 ZINC000216845708 531027577 /nfs/dbraw/zinc/02/75/77/531027577.db2.gz GKCSWLYWFCOGLD-UHFFFAOYSA-N -1 3 382.873 1.377 40 70 GDIBHM