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-])c1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000041054886 202470678 /nfs/dbraw/zinc/47/06/78/202470678.db2.gz MTGXKAFEKWCKGJ-UHFFFAOYSA-N 1 2 333.269 4.905 10 5 EJBELO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963820 213246911 /nfs/dbraw/zinc/24/69/11/213246911.db2.gz HQACASGZULURTN-UHFFFAOYSA-N 1 2 333.269 4.905 10 5 EJBELO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3cc(Br)ccc23)cc1 ZINC000054202291 214223854 /nfs/dbraw/zinc/22/38/54/214223854.db2.gz SRTXKQMEWYZESZ-UHFFFAOYSA-N 1 2 344.168 4.649 10 5 EJBELO O=[N+]([O-])c1cccc(Nc2cc[nH+]c3cc(Br)ccc23)c1 ZINC000054202322 214223040 /nfs/dbraw/zinc/22/30/40/214223040.db2.gz NFPQLHJFVBCTRR-UHFFFAOYSA-N 1 2 344.168 4.649 10 5 EJBELO