smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(Cl)cc(Cc2ccccc2)c1O ZINC000057352722 567154584 /nfs/dbraw/zinc/15/45/84/567154584.db2.gz UUSXPOKEASOMNW-UHFFFAOYSA-N 0 2 263.680 3.545 40 5 CHBBLN O=[N+]([O-])c1ccc(COC(=S)Nc2ccccc2)cc1 ZINC000016490093 566969396 /nfs/dbraw/zinc/96/93/96/566969396.db2.gz OLRNMTWIIMVOKX-UHFFFAOYSA-N 0 2 288.328 3.508 40 5 CHBBLN O=[N+]([O-])c1cc(-c2ccccc2C(F)F)ccc1O ZINC000575629334 570350429 /nfs/dbraw/zinc/35/04/29/570350429.db2.gz QTDXRZSXEJAXSU-UHFFFAOYSA-N 0 2 265.215 3.905 40 5 CHBBLN