smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C([S-])NN=Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1 ZINC000033379591 526816345 /nfs/dbraw/zinc/81/63/45/526816345.db2.gz UYKWMBZZQYPKCP-JMIUGGIZSA-N -2 3 402.461 2.116 1 30 HEEFHL