smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[nH]c1c2sc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000071315760 203091053 /nfs/dbraw/zinc/09/10/53/203091053.db2.gz DMWAQMPFYIOCAO-UHFFFAOYSA-N 0 2 338.388 4.039 1 5 EIBFLN O=[N+]([O-])c1ccc(NC(=S)OCCc2cccc(Cl)c2)cc1 ZINC000040423953 213302982 /nfs/dbraw/zinc/30/29/82/213302982.db2.gz SVKAERTXDOVOSR-UHFFFAOYSA-N 0 2 336.800 4.204 1 5 EIBFLN