smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n[nH]1 ZINC001030293495 799292183 /nfs/dbraw/zinc/29/21/83/799292183.db2.gz MIJOVBFWJZSKHF-RKDXNWHRSA-N 0 2 280.288 -0.921 20 5 CBBDLN COC(=O)[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001161413934 815752167 /nfs/dbraw/zinc/75/21/67/815752167.db2.gz SVSWOMBDARXAGY-GFCCVEGCSA-N 0 2 298.251 -0.046 20 5 CBBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](c2nn[nH]n2)C1 ZINC001302936431 816758849 /nfs/dbraw/zinc/75/88/49/816758849.db2.gz HWTIHPSHHAZFAY-RRKCRQDMSA-N 0 2 252.234 -0.819 20 5 CBBDLN O=C(N[C@H]1C[C@@H](O)[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1O ZINC001303822800 816774201 /nfs/dbraw/zinc/77/42/01/816774201.db2.gz GADWVAMUIMNPII-DFYJTEQTSA-N 0 2 282.252 -0.086 20 5 CBBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSC[C@H]1c1nn[nH]n1 ZINC001448015792 913191256 /nfs/dbraw/zinc/19/12/56/913191256.db2.gz 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