smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035346884 539980822 /nfs/dbraw/zinc/98/08/22/539980822.db2.gz OUPPHJMZXFYURS-UHFFFAOYSA-N -1 2 352.324 2.102 10 5 FEBELM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000006588865 204255235 /nfs/dbraw/zinc/25/52/35/204255235.db2.gz VHWHSSQREDRLNY-UHFFFAOYSA-N -1 2 357.731 2.142 10 5 FEBELM