smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C(=O)N([N-]C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C(=O)N1C ZINC001301136635 866252388 /nfs/dbraw/zinc/25/23/88/866252388.db2.gz ZAPLQUOPLDJHGV-SCSAIBSYSA-N -1 1 359.701 0.897 10 5 FCBEMM NC(=O)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC001331591682 873156253 /nfs/dbraw/zinc/15/62/53/873156253.db2.gz YFSDIMYLYWHPID-IZLXSQMJSA-N -1 1 351.743 0.930 10 5 FCBEMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(CC(=O)[O-])CC2)c1C ZINC000275378360 212015934 /nfs/dbraw/zinc/01/59/34/212015934.db2.gz XCKTYMNWEHQAIK-UHFFFAOYSA-N -1 1 371.415 0.993 10 5 FCBEMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000268441723 488419174 /nfs/dbraw/zinc/41/91/74/488419174.db2.gz CXDUZEXFWMBGRW-VIFPVBQESA-N -1 1 360.367 0.816 10 5 FCBEMM CC[C@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451746654 489521896 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