smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)s1 ZINC000161176075 565276728 /nfs/dbraw/zinc/27/67/28/565276728.db2.gz SBKGKIWTKHWNKV-UHFFFAOYSA-N -2 1 388.536 3.218 20 70 GGIDML