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]1CN(C(=O)NCCOc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175821019 174030216 /nfs/dbraw/zinc/03/02/16/174030216.db2.gz GGWSHWNADLXWFF-QAPCUYQASA-N 1 1 358.442 1.299 10 30 FDEEMO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000177619244 174145210 /nfs/dbraw/zinc/14/52/10/174145210.db2.gz YFGKDSRAHSTRNV-QGZVFWFLSA-N 1 1 358.442 1.456 10 30 FDEEMO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1CC ZINC000177619244 174145211 /nfs/dbraw/zinc/14/52/11/174145211.db2.gz YFGKDSRAHSTRNV-QGZVFWFLSA-N 1 1 358.442 1.456 10 30 FDEEMO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+]4CCC[C@@H]4C3)C2)n1 ZINC000329949817 259119356 /nfs/dbraw/zinc/11/93/56/259119356.db2.gz MCNAOKMCUVTGIN-ZWKOTPCHSA-N 1 1 353.470 1.785 10 30 FDEEMO C=CC[NH+]1CCC(NC(=O)N2CCN(CCOCC)[C@H](CC)C2)CC1 ZINC000172135025 524128639 /nfs/dbraw/zinc/12/86/39/524128639.db2.gz 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