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([N-]NC(=O)N1CCOCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823277615 606675639 /nfs/dbraw/zinc/67/56/39/606675639.db2.gz RXEOPKJGVOBGOW-UHFFFAOYSA-N -1 0 353.289 -0.169 20 50 FBGDRM O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)C1=S=C(c2nnn[n-]2)C=C1 ZINC000823277628 606517397 /nfs/dbraw/zinc/51/73/97/606517397.db2.gz SKWXQQOAOLGDPW-UHFFFAOYSA-N -1 0 359.327 -0.435 20 50 FBGDRM O=C([N-]NC(=O)C(=O)N1CCCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823277636 606676386 /nfs/dbraw/zinc/67/63/86/606676386.db2.gz TUSHBTTYMQPWSH-UHFFFAOYSA-N -1 0 365.300 -0.472 20 50 FBGDRM O=C(N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C1CCC1 ZINC000823281245 607156183 /nfs/dbraw/zinc/15/61/83/607156183.db2.gz PVMUEAHGRANUBY-UHFFFAOYSA-N -1 0 367.347 -0.116 20 50 FBGDRM O=C([O-])Cn1cc(C=NNC(=O)COc2ccccc2-c2nn[nH]n2)nn1 ZINC000823387216 607171782 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CC(C)(CNC(=O)NNC(=O)CNC(=O)c1cccs1)NC(=O)[O-] ZINC000823941375 603462981 /nfs/dbraw/zinc/46/29/81/603462981.db2.gz JRYCELXBVCSMTH-UHFFFAOYSA-N -1 0 357.392 -0.146 20 50 FBGDRM CC(=O)N1CCOC[C@@H]1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823982279 608120327 /nfs/dbraw/zinc/12/03/27/608120327.db2.gz YSAGVWCOZIOMMU-SECBINFHSA-N -1 0 364.366 -0.332 20 50 FBGDRM CC(=O)N1CCOC[C@H]1C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000823982280 608120278 /nfs/dbraw/zinc/12/02/78/608120278.db2.gz YSAGVWCOZIOMMU-VIFPVBQESA-N -1 0 364.366 -0.332 20 50 FBGDRM C[C@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)N1CCN(C)CC1 ZINC000824040450 608579502 /nfs/dbraw/zinc/57/95/02/608579502.db2.gz QFIFGDBPJFSTDE-SECBINFHSA-N -1 0 365.829 -0.006 20 50 FBGDRM C[C@@H](C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)N1CCN(C)CC1 ZINC000824040451 608579519 /nfs/dbraw/zinc/57/95/19/608579519.db2.gz QFIFGDBPJFSTDE-VIFPVBQESA-N -1 0 365.829 -0.006 20 50 FBGDRM CC(C)(C)OC(=O)NCC(=O)N[N-]C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000824108824 609397805 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CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)CNC(=O)c1cccnc1 ZINC000824210239 605157698 /nfs/dbraw/zinc/15/76/98/605157698.db2.gz DKKRLXNPEJWYEC-NSHDSACASA-N -1 0 351.363 -0.359 20 50 FBGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824299698 605662937 /nfs/dbraw/zinc/66/29/37/605662937.db2.gz XHWNNYCIGKNGSZ-BDAKNGLRSA-N -1 0 350.397 -0.814 20 50 FBGDRM CC(C)C[C@H](NC(=O)[O-])C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824299699 605663143 /nfs/dbraw/zinc/66/31/43/605663143.db2.gz XHWNNYCIGKNGSZ-IUCAKERBSA-N -1 0 350.397 -0.814 20 50 FBGDRM CC(C)N(CCC(=O)NNC(=O)CNC(=O)c1cccnc1)C(=O)[O-] ZINC000824341154 604584249 /nfs/dbraw/zinc/58/42/49/604584249.db2.gz FUKJFEKYYIACLI-UHFFFAOYSA-N -1 0 351.363 -0.263 20 50 FBGDRM CC(C)NC(=O)C(=O)NNC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000824369916 603937673 /nfs/dbraw/zinc/93/76/73/603937673.db2.gz VNIGWMWPJRCEDE-GFCCVEGCSA-N -1 0 350.375 -0.073 20 50 FBGDRM CC(C)NC(=O)C(=O)NNC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000824369917 603937592 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