smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nccc1S(=O)(=O)[N-]c1ccc(O)c(S(=O)(=O)NC)c1 ZINC000790407819 668876320 /nfs/dbraw/zinc/87/63/20/668876320.db2.gz SDGPRSRXFRREDN-UHFFFAOYSA-N -1 2 360.417 0.318 10 10 FCCELM CCn1cnc(S(=O)(=O)[N-]c2ccc(O)c(S(=O)(=O)NC)c2)c1 ZINC000790406186 668876399 /nfs/dbraw/zinc/87/63/99/668876399.db2.gz DKLABVQPNOYSSJ-UHFFFAOYSA-N -1 2 360.417 0.318 10 10 FCCELM