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](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001467244044 1068996834 /nfs/dbraw/zinc/99/68/34/1068996834.db2.gz DVMMNORKIYSKDJ-CYBMUJFWSA-N -1 0 431.474 0.580 20 30 ICEDRM C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001467244070 1068996740 /nfs/dbraw/zinc/99/67/40/1068996740.db2.gz DVMMNORKIYSKDJ-ZDUSSCGKSA-N -1 0 431.474 0.580 20 30 ICEDRM N#Cc1cn(CC(=O)N2CCC(O)(c3scnc3Br)CC2)c(=O)[n-]c1=O ZINC001467546927 1069014511 /nfs/dbraw/zinc/01/45/11/1069014511.db2.gz LMBVWKZISUBMKT-UHFFFAOYSA-N -1 0 440.279 0.550 20 30 ICEDRM N#Cc1cn(C2CN(C(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)C2)c(=O)[n-]c1=O ZINC001467582862 1069015922 /nfs/dbraw/zinc/01/59/22/1069015922.db2.gz RBSWVUYVWYHTCF-GOSISDBHSA-N -1 0 442.451 0.599 20 30 ICEDRM N#Cc1cn(C2CN(C(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)C2)c(=O)[n-]c1=O ZINC001467582863 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