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-])c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC000432184119 600689815 /nfs/dbraw/zinc/68/98/15/600689815.db2.gz DCWHLAZLMMLCLN-UHFFFAOYSA-N -2 2 384.297 1.931 20 5 GDBDLL O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000833301403 600817610 /nfs/dbraw/zinc/81/76/10/600817610.db2.gz YGKUGOMBGYAKIE-UHFFFAOYSA-N -2 2 384.297 1.931 20 5 GDBDLL COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832204142 600690632 /nfs/dbraw/zinc/69/06/32/600690632.db2.gz GBYFCQRKIMYXRN-UHFFFAOYSA-N -2 2 396.333 1.801 20 5 GDBDLL