smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccc(Cl)cc4)cc3Cl)cc2)CC1 ZINC000216838638 571600395 /nfs/dbraw/zinc/60/03/95/571600395.db2.gz NLUYFKJIYHCWAQ-UHFFFAOYSA-N -1 1 613.545 3.748 40 70 KHIBMM