smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426757500 1126088222 /nfs/dbraw/zinc/08/82/22/1126088222.db2.gz PGTYSWFZVABOHL-QGZVFWFLSA-N -1 1 435.864 4.296 20 5 IIBDMM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426807281 1126091508 /nfs/dbraw/zinc/09/15/08/1126091508.db2.gz HIAJQQAHLIBKGH-KRWDZBQOSA-N -1 1 447.900 4.069 20 5 IIBDMM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426757499 1126088105 /nfs/dbraw/zinc/08/81/05/1126088105.db2.gz PGTYSWFZVABOHL-KRWDZBQOSA-N -1 1 435.864 4.296 20 5 IIBDMM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1csc(COc2ccc(Cl)cc2)n1 ZINC000426783429 1126090240 /nfs/dbraw/zinc/09/02/40/1126090240.db2.gz LEHBJYOQNTVAJX-SFHVURJKSA-N -1 1 447.900 4.069 20 5 IIBDMM